4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide

C12H20N4O — CID 83180429

IUPAC4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
SMILESCC(CCN)Nc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C12H20N4O/c1-9(4-6-13)15-10-5-7-14-11(8-10)12(17)16(2)3/h5,7-9H,4,6,13H2,1-3H3,(H,14,15)
InChIKeyAENWZEZFWWTOBQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.93
Rot. Bonds5

About 4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide

4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 83180429) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
PubChem CID83180429
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
SMILESCC(CCN)Nc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C12H20N4O/c1-9(4-6-13)15-10-5-7-14-11(8-10)12(17)16(2)3/h5,7-9H,4,6,13H2,1-3H3,(H,14,15)
InChIKeyAENWZEZFWWTOBQ-UHFFFAOYSA-N
XLogP0.93
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
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-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704722
4-[1-(furan-2-yl)propan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 61043893
4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 55228575
4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide
CID 54968476
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-(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

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide (CID 83180429) is 4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide is CC(CCN)Nc1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of 4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is AENWZEZFWWTOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(4-6-13)15-10-5-7-14-11(8-10)12(17)16(2)3/h5,7-9H,4,6,13H2,1-3H3,(H,14,15).
What are the key properties of 4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide?
4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 83180429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).