5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide

C12H16ClN3O3 — CID 133294647

IUPAC5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC2(O)CCOCC2)c(Cl)c1
InChIInChI=1S/C12H16ClN3O3/c13-9-5-8(10(14)17)6-15-11(9)16-7-12(18)1-3-19-4-2-12/h5-6,18H,1-4,7H2,(H2,14,17)(H,15,16)
InChIKeyDGKZXEMDROTXJK-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.79
Rot. Bonds4

About 5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide

5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide (PubChem CID 133294647) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
PubChem CID133294647
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC2(O)CCOCC2)c(Cl)c1
InChIInChI=1S/C12H16ClN3O3/c13-9-5-8(10(14)17)6-15-11(9)16-7-12(18)1-3-19-4-2-12/h5-6,18H,1-4,7H2,(H2,14,17)(H,15,16)
InChIKeyDGKZXEMDROTXJK-UHFFFAOYSA-N
XLogP0.79
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide
CID 133272354
3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106099483
6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133395258
4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 82833099
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518
5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
CID 133327417
3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 102975946
5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide
CID 47292812

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide (CID 133294647) is 5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide is NC(=O)c1cnc(NCC2(O)CCOCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is DGKZXEMDROTXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-9-5-8(10(14)17)6-15-11(9)16-7-12(18)1-3-19-4-2-12/h5-6,18H,1-4,7H2,(H2,14,17)(H,15,16).
What are the key properties of 5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide?
5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133294647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).