2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide

C11H18N4O — CID 63731943

IUPAC2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(NC(C)CN)n1
InChIInChI=1S/C11H18N4O/c1-6-4-7(2)14-11(9(6)10(13)16)15-8(3)5-12/h4,8H,5,12H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyMKQRLGANAATMFI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.56
Rot. Bonds4

About 2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide

2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 63731943) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide
PubChem CID63731943
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(NC(C)CN)n1
InChIInChI=1S/C11H18N4O/c1-6-4-7(2)14-11(9(6)10(13)16)15-8(3)5-12/h4,8H,5,12H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyMKQRLGANAATMFI-UHFFFAOYSA-N
XLogP0.56
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678486
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid
CID 43631332
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid
CID 81078416
2-[1-(dimethylamino)propan-2-ylamino]-4,6-dimethylpyridine-3-carbothioamide
CID 82939682
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 60678598
2-(1-ethylsulfanylpropan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 113499124
4,6-dimethyl-2-(1-piperidin-3-ylethylamino)pyridine-3-carboxamide
CID 62047083
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284521
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 79249523
2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide
CID 43598857
2-N-(2,6-dimethyl-4-pyridinyl)propane-1,2-diamine
CID 66835421
2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine
CID 63732356

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide (CID 63731943) is 2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(NC(C)CN)n1.
What is the InChIKey of 2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is MKQRLGANAATMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-6-4-7(2)14-11(9(6)10(13)16)15-8(3)5-12/h4,8H,5,12H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide?
2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 63731943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).