methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate

C20H16ClN3O3 — CID 139512379

IUPACmethyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)nc1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)15-6-7-17(22-12-15)19(25)24-18-8-5-14(11-23-18)9-13-3-2-4-16(21)10-13/h2-8,10-12H,9H2,1H3,(H,23,24,25)
InChIKeyMMXMACCGERUWSR-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.76
Rot. Bonds5

About methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 139512379) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate
PubChem CID139512379
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Namemethyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)nc1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)15-6-7-17(22-12-15)19(25)24-18-8-5-14(11-23-18)9-13-3-2-4-16(21)10-13/h2-8,10-12H,9H2,1H3,(H,23,24,25)
InChIKeyMMXMACCGERUWSR-UHFFFAOYSA-N
XLogP3.76
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-(2-{5-chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)pyridine-2-carboxylate
CID 470759
2-[[[(5-Chloro-2-pyridinyl)amino]-oxomethyl]amino]benzoic acid methyl ester
CID 970084
Ethyl 2,6-dimethyl-5-[(4-methylpyridin-2-yl)carbamoylamino]pyridine-3-carboxylate
CID 2341879
Ethyl 5-chloro-6-(4-{[(3-chlorophenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 23642329
Ethyl 5-chloro-6-[4-({[1-(3-isopropenylphenyl)-1methylethyl]amino}carbonyl)piperazin-1-yl]nicotinate
CID 24750561
Ethyl 5-chloro-6-(4-{[(3-methylphenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751850
Ethyl 5-chloro-6-(4-{[(4-chlorophenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751851
ethyl 5-chloro-6-[4-({[(1S)-1-phenylethyl]amino}carbonyl)piperazin-1-yl]nicotinate
CID 24751996
Ethyl 5-chloro-6-(4-{[(4-methylphenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751998
Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-chloronicotinate
CID 54586076
Ethyl 4-{2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-YL]acetamido}benzoate
CID 16024551
ethyl 2-((3R,5S)-4-(4-amino-3,5-dichlorobenzoyl)-3,5-dimethylpiperazin-1-yl)nicotinate
CID 44420238

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate (CID 139512379) is methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)nc1.
What is the InChIKey of methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is MMXMACCGERUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-20(26)15-6-7-17(22-12-15)19(25)24-18-8-5-14(11-23-18)9-13-3-2-4-16(21)10-13/h2-8,10-12H,9H2,1H3,(H,23,24,25).
What are the key properties of methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 381.82 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 139512379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).