4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide

C12H20N4O — CID 54968476

IUPAC4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide
SMILESCC(CCN(C)C)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C12H20N4O/c1-9(5-7-16(2)3)15-10-4-6-14-11(8-10)12(13)17/h4,6,8-9H,5,7H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyVGGPPHSUOXQRIC-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.93
Rot. Bonds6

About 4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide

4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide (PubChem CID 54968476) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide
PubChem CID54968476
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide
SMILESCC(CCN(C)C)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C12H20N4O/c1-9(5-7-16(2)3)15-10-4-6-14-11(8-10)12(13)17/h4,6,8-9H,5,7H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyVGGPPHSUOXQRIC-UHFFFAOYSA-N
XLogP0.93
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze 4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid
CID 65289477
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
N-[4-(dimethylamino)butan-2-yl]-4-(ethylamino)pyridine-2-carboxamide
CID 55046863
4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940
N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
CID 63925495
4-(1-cyclopropylethylamino)pyridine-2-carboxamide
CID 43533522
4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
CID 65048588
4-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxamide
CID 62640887
4-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-2-carboxamide
CID 106182130
4-(hexan-2-ylamino)pyridine-2-carbothioamide
CID 62924886
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide (CID 54968476) is 4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide is CC(CCN(C)C)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide?
The InChIKey is VGGPPHSUOXQRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(5-7-16(2)3)15-10-4-6-14-11(8-10)12(13)17/h4,6,8-9H,5,7H2,1-3H3,(H2,13,17)(H,14,15).
What are the key properties of 4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide?
4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide is sourced from PubChem (CID 54968476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).