methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate

C29H26Cl2N6O5 — CID 164916590

IUPACmethyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccn1)N(Cc1ccc(C(=O)Nc2cc(OC)ccn2)c(Cl)c1)C(=O)c1ncc(Cl)cc1N
InChIInChI=1S/C29H26Cl2N6O5/c1-41-20-8-10-34-25(14-20)36-27(38)21-7-6-17(11-22(21)31)16-37(28(39)26-23(32)12-18(30)15-35-26)24(29(40)42-2)13-19-5-3-4-9-33-19/h3-12,14-15,24H,13,16,32H2,1-2H3,(H,34,36,38)/t24-/m1/s1
InChIKeyFMBKHSLRWBEYTN-XMMPIXPASA-N
MW609.47 g/mol
LogP4.45
Rot. Bonds10

About methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate

methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate (PubChem CID 164916590) has the molecular formula C29H26Cl2N6O5 and a molecular weight of 609.47 g/mol. Its IUPAC name is methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate
PubChem CID164916590
Molecular FormulaC29H26Cl2N6O5
Molecular Weight609.47 g/mol
Exact Mass608.13
IUPAC Namemethyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccn1)N(Cc1ccc(C(=O)Nc2cc(OC)ccn2)c(Cl)c1)C(=O)c1ncc(Cl)cc1N
InChIInChI=1S/C29H26Cl2N6O5/c1-41-20-8-10-34-25(14-20)36-27(38)21-7-6-17(11-22(21)31)16-37(28(39)26-23(32)12-18(30)15-35-26)24(29(40)42-2)13-19-5-3-4-9-33-19/h3-12,14-15,24H,13,16,32H2,1-2H3,(H,34,36,38)/t24-/m1/s1
InChIKeyFMBKHSLRWBEYTN-XMMPIXPASA-N
XLogP4.45
TPSA149.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate with MolForge

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Related Compounds

2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxy-2-pyridinyl)benzamide
CID 132213594
2-[[4-(2-Chloro-4-methylphenyl)-6-methyl-2-([1,3]oxazolo[4,5-c]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carbonyl]amino]pyridine-4-carboxylic acid
CID 156898801
2-chloro-4-[[2,5-dioxo-3-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-4-yl]methyl]-N-(5-methoxypyridazin-3-yl)benzamide
CID 170941465
N-[2-chloro-4-[[[(3-hydroxyphenyl)methyl]amino]carbonyl]benzoyl]-3-[3-[[(5-chloro-2-pyridinyl)amino]carbonyl]pyrazine-2-carbonyl]amino-L-alanine
CID 68823731
N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide
CID 68982094
2-chloro-4-[[8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxy-2-pyridinyl)benzamide
CID 132213595
2-chloro-4-[1-[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]ethyl]-N-(5-methoxy-2-pyridinyl)benzamide
CID 132214353
2-chloro-4-[1-[8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]ethyl]-N-(5-methoxy-2-pyridinyl)benzamide
CID 132214354
methyl (2R)-2-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methylamino]-3-pyridin-2-ylpropanoate
CID 164916578
Methyl 1-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methylamino]-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 164916583
methyl (2R)-2-[(3-azido-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate
CID 164916584
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydropyrido[3,2-e][1,4]diazepin-4-yl]methyl]-N-(4-methoxy-2-pyridinyl)benzamide
CID 164916586

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate?
The IUPAC name of methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate (CID 164916590) is methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate?
The canonical SMILES for methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate is COC(=O)[C@@H](Cc1ccccn1)N(Cc1ccc(C(=O)Nc2cc(OC)ccn2)c(Cl)c1)C(=O)c1ncc(Cl)cc1N.
What is the InChIKey of methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate?
The InChIKey is FMBKHSLRWBEYTN-XMMPIXPASA-N. The full InChI is InChI=1S/C29H26Cl2N6O5/c1-41-20-8-10-34-25(14-20)36-27(38)21-7-6-17(11-22(21)31)16-37(28(39)26-23(32)12-18(30)15-35-26)24(29(40)42-2)13-19-5-3-4-9-33-19/h3-12,14-15,24H,13,16,32H2,1-2H3,(H,34,36,38)/t24-/m1/s1.
What are the key properties of methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate?
methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate has a molecular weight of 609.47 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3-amino-5-chloropyridine-2-carbonyl)-[[3-chloro-4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]methyl]amino]-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 164916590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).