2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide

C12H16ClN3O2 — CID 114922848

IUPAC2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC2CCCOC2)c(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c13-10-6-15-11(14)4-9(10)12(17)16-5-8-2-1-3-18-7-8/h4,6,8H,1-3,5,7H2,(H2,14,15)(H,16,17)
InChIKeyOJAVTBOAUBFWDO-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide

2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 114922848) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
PubChem CID114922848
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC2CCCOC2)c(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c13-10-6-15-11(14)4-9(10)12(17)16-5-8-2-1-3-18-7-8/h4,6,8H,1-3,5,7H2,(H2,14,15)(H,16,17)
InChIKeyOJAVTBOAUBFWDO-UHFFFAOYSA-N
XLogP1.47
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114923351
4-chloro-3-(oxan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396604
2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
CID 62160787
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81240575
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-5-chloropyridine-4-carboxamide
CID 114923988
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923616

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide (CID 114922848) is 2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCC2CCCOC2)c(Cl)cn1.
What is the InChIKey of 2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is OJAVTBOAUBFWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-10-6-15-11(14)4-9(10)12(17)16-5-8-2-1-3-18-7-8/h4,6,8H,1-3,5,7H2,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114922848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).