4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide

C14H24N4O — CID 106357616

IUPAC4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCC(C)C(CCN)Nc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C14H24N4O/c1-10(2)12(5-7-15)17-11-6-8-16-13(9-11)14(19)18(3)4/h6,8-10,12H,5,7,15H2,1-4H3,(H,16,17)
InChIKeyDURGNJDAUBTUTG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.57
Rot. Bonds6

About 4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide

4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 106357616) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID106357616
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCC(C)C(CCN)Nc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C14H24N4O/c1-10(2)12(5-7-15)17-11-6-8-16-13(9-11)14(19)18(3)4/h6,8-10,12H,5,7,15H2,1-4H3,(H,16,17)
InChIKeyDURGNJDAUBTUTG-UHFFFAOYSA-N
XLogP1.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 83180429
4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide
CID 106357604
4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395737
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
N,N-dimethyl-4-(1-pyridin-2-ylethylamino)pyridine-2-carboxamide
CID 43397218
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
CID 62927132
4-(dicyclopropylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61482684
4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704565
4-[(2-hydroxy-1-phenylethyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63182907
4-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 115310147
4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704722
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide (CID 106357616) is 4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide is CC(C)C(CCN)Nc1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of 4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is DURGNJDAUBTUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)12(5-7-15)17-11-6-8-16-13(9-11)14(19)18(3)4/h6,8-10,12H,5,7,15H2,1-4H3,(H,16,17).
What are the key properties of 4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide?
4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 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]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 106357616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).