(5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate

C39H36Cl2N6O5 — CID 167694406

IUPAC(5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2cccc(Cl)c2)cn1.Nc1ccc(CO)nc1.O=C(Nc1ccc(CO)nc1)c1ccc(Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C19H16ClN3O2.C14H12ClNO2.C6H8N2O/c20-15-3-1-2-13(9-15)8-14-4-7-18(22-10-14)19(25)23-16-5-6-17(12-24)21-11-16;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;7-5-1-2-6(4-9)8-3-5/h1-7,9-11,24H,8,12H2,(H,23,25);2-6,8-9H,7H2,1H3;1-3,9H,4,7H2
InChIKeyXKWWKVYQPOIVQI-UHFFFAOYSA-N
MW739.66 g/mol
LogP6.73
Rot. Bonds9

About (5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate

(5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate (PubChem CID 167694406) has the molecular formula C39H36Cl2N6O5 and a molecular weight of 739.66 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate
PubChem CID167694406
Molecular FormulaC39H36Cl2N6O5
Molecular Weight739.66 g/mol
Exact Mass738.21
IUPAC Name(5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2cccc(Cl)c2)cn1.Nc1ccc(CO)nc1.O=C(Nc1ccc(CO)nc1)c1ccc(Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C19H16ClN3O2.C14H12ClNO2.C6H8N2O/c20-15-3-1-2-13(9-15)8-14-4-7-18(22-10-14)19(25)23-16-5-6-17(12-24)21-11-16;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;7-5-1-2-6(4-9)8-3-5/h1-7,9-11,24H,8,12H2,(H,23,25);2-6,8-9H,7H2,1H3;1-3,9H,4,7H2
InChIKeyXKWWKVYQPOIVQI-UHFFFAOYSA-N
XLogP6.73
TPSA173.44 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.66
LogP ≤ 56.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide
CID 81317223
sodium;N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide;methanolate;methyl 6-(chloromethyl)pyridine-3-carboxylate;methyl 6-(hydroxymethyl)pyridine-3-carboxylate;methyl 6-(methoxymethyl)pyridine-3-carboxylate;thionyl dichloride
CID 167575567
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
methyl 4-[[6-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199182
5-(aminomethyl)-N-(3-ethylphenyl)pyridine-2-carboxamide
CID 55230586
[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride
CID 158204197
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657
2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 139512375
N-(4-acetamidophenyl)-5-aminopyridine-2-carboxamide
CID 81319300
methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate
CID 68620729
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate?
The IUPAC name of (5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate (CID 167694406) is (5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for (5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate?
The canonical SMILES for (5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate is COC(=O)c1ccc(Cc2cccc(Cl)c2)cn1.Nc1ccc(CO)nc1.O=C(Nc1ccc(CO)nc1)c1ccc(Cc2cccc(Cl)c2)cn1.
What is the InChIKey of (5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate?
The InChIKey is XKWWKVYQPOIVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2.C14H12ClNO2.C6H8N2O/c20-15-3-1-2-13(9-15)8-14-4-7-18(22-10-14)19(25)23-16-5-6-17(12-24)21-11-16;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;7-5-1-2-6(4-9)8-3-5/h1-7,9-11,24H,8,12H2,(H,23,25);2-6,8-9H,7H2,1H3;1-3,9H,4,7H2.
What are the key properties of (5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate?
(5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate has a molecular weight of 739.66 g/mol, XLogP of 6.73, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 167694406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).