4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide

C12H19N3O2 — CID 65048588

IUPAC4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
SMILESCOCC(Nc1ccnc(C(N)=O)c1)C(C)C
InChIInChI=1S/C12H19N3O2/c1-8(2)11(7-17-3)15-9-4-5-14-10(6-9)12(13)16/h4-6,8,11H,7H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyWHQWORWKCGOARR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.26
Rot. Bonds6

About 4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide

4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide (PubChem CID 65048588) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
PubChem CID65048588
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
SMILESCOCC(Nc1ccnc(C(N)=O)c1)C(C)C
InChIInChI=1S/C12H19N3O2/c1-8(2)11(7-17-3)15-9-4-5-14-10(6-9)12(13)16/h4-6,8,11H,7H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyWHQWORWKCGOARR-UHFFFAOYSA-N
XLogP1.26
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide
CID 106357604
4-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-2-carboxamide
CID 106182130
4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 133270581
4-(1-cyclopropylethylamino)pyridine-2-carboxamide
CID 43533522
4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide
CID 54968476
3-methoxy-2-[(2-methoxycarbonyl-4-pyridinyl)amino]propanoic acid
CID 81077972
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 106357616
6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid
CID 65289477

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide?
The IUPAC name of 4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide (CID 65048588) is 4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide is COCC(Nc1ccnc(C(N)=O)c1)C(C)C.
What is the InChIKey of 4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide?
The InChIKey is WHQWORWKCGOARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)11(7-17-3)15-9-4-5-14-10(6-9)12(13)16/h4-6,8,11H,7H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide?
4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 65048588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).