N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide

C13H21N3O2 — CID 106164489

IUPACN-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide
SMILESCCC(C)(CCN)NC(=O)c1ccncc1OC
InChIInChI=1S/C13H21N3O2/c1-4-13(2,6-7-14)16-12(17)10-5-8-15-9-11(10)18-3/h5,8-9H,4,6-7,14H2,1-3H3,(H,16,17)
InChIKeyKVFNQXOSDDELSI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.34
Rot. Bonds6

About N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide

N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide (PubChem CID 106164489) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide
PubChem CID106164489
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide
SMILESCCC(C)(CCN)NC(=O)c1ccncc1OC
InChIInChI=1S/C13H21N3O2/c1-4-13(2,6-7-14)16-12(17)10-5-8-15-9-11(10)18-3/h5,8-9H,4,6-7,14H2,1-3H3,(H,16,17)
InChIKeyKVFNQXOSDDELSI-UHFFFAOYSA-N
XLogP1.34
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-methoxypyridine-4-carboxamide
CID 114010911
N-[3-(bromomethyl)pentan-3-yl]-3-methoxypyridine-4-carboxamide
CID 105064569
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
N-(1-amino-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106164842
4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 103875358
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide
CID 105064330
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 114314442
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 105063303
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
CID 106164386

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide (CID 106164489) is N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide is CCC(C)(CCN)NC(=O)c1ccncc1OC.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide?
The InChIKey is KVFNQXOSDDELSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-13(2,6-7-14)16-12(17)10-5-8-15-9-11(10)18-3/h5,8-9H,4,6-7,14H2,1-3H3,(H,16,17).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide?
N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 106164489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).