2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide

C12H18ClN3O2 — CID 114923757

IUPAC2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide
SMILESCCCC(COC)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-3-4-8(7-18-2)16-12(17)9-5-11(14)15-6-10(9)13/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyCUOFBWNABPEAML-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.86
Rot. Bonds6

About 2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide

2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide (PubChem CID 114923757) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide
PubChem CID114923757
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide
SMILESCCCC(COC)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-3-4-8(7-18-2)16-12(17)9-5-11(14)15-6-10(9)13/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyCUOFBWNABPEAML-UHFFFAOYSA-N
XLogP1.86
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923758
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114924724
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide
CID 107075408
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923822
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65359812

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide (CID 114923757) is 2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide is CCCC(COC)NC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide?
The InChIKey is CUOFBWNABPEAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-3-4-8(7-18-2)16-12(17)9-5-11(14)15-6-10(9)13/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.86, 6 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-(1-methoxypentan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114923757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).