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

C12H20N4O — CID 106357604

IUPAC4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide
SMILESCC(C)C(CCN)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C12H20N4O/c1-8(2)10(3-5-13)16-9-4-6-15-11(7-9)12(14)17/h4,6-8,10H,3,5,13H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyNVZPZUPQCJLRKZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.97
Rot. Bonds6

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

4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide (PubChem CID 106357604) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide
PubChem CID106357604
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide
SMILESCC(C)C(CCN)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C12H20N4O/c1-8(2)10(3-5-13)16-9-4-6-15-11(7-9)12(14)17/h4,6-8,10H,3,5,13H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyNVZPZUPQCJLRKZ-UHFFFAOYSA-N
XLogP0.97
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 106357616
4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
CID 65048588
4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940
4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide
CID 54968476
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
4-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-2-carboxamide
CID 106182130
6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid
CID 65289477
4-(1-cyclopropylethylamino)pyridine-2-carboxamide
CID 43533522
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
CID 62927132
4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 83180429
4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
CID 62926594
3-[(2-amino-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 106358019

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide?
The IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide (CID 106357604) is 4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide is CC(C)C(CCN)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide?
The InChIKey is NVZPZUPQCJLRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)10(3-5-13)16-9-4-6-15-11(7-9)12(14)17/h4,6-8,10H,3,5,13H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide?
4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 106357604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).