N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide

C11H17N3O2 — CID 106152616

IUPACN-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide
SMILESCOCC(CCN)NC(=O)c1cccnc1
InChIInChI=1S/C11H17N3O2/c1-16-8-10(4-5-12)14-11(15)9-3-2-6-13-7-9/h2-3,6-7,10H,4-5,8,12H2,1H3,(H,14,15)
InChIKeyZKEKQGIAJOJNQR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.18
Rot. Bonds6

About N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide

N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide (PubChem CID 106152616) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide
PubChem CID106152616
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide
SMILESCOCC(CCN)NC(=O)c1cccnc1
InChIInChI=1S/C11H17N3O2/c1-16-8-10(4-5-12)14-11(15)9-3-2-6-13-7-9/h2-3,6-7,10H,4-5,8,12H2,1H3,(H,14,15)
InChIKeyZKEKQGIAJOJNQR-UHFFFAOYSA-N
XLogP0.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
CID 106244946
N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
CID 104629797
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
CID 114150708
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 103799620
methyl 4-methylsulfonyl-2-(pyridine-3-carbonylamino)butanoate
CID 141299622
N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one
CID 116593749
N-(4-amino-1-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106152676

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide (CID 106152616) is N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide is COCC(CCN)NC(=O)c1cccnc1.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide?
The InChIKey is ZKEKQGIAJOJNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-8-10(4-5-12)14-11(15)9-3-2-6-13-7-9/h2-3,6-7,10H,4-5,8,12H2,1H3,(H,14,15).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide?
N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 106152616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).