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

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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).