2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide

C18H24N6O — CID 46901542

IUPAC2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide
SMILESCC(C)Nc1cc(-c2cc(C(N)=O)cc(N3CCNCC3)n2)ccn1
InChIInChI=1S/C18H24N6O/c1-12(2)22-16-10-13(3-4-21-16)15-9-14(18(19)25)11-17(23-15)24-7-5-20-6-8-24/h3-4,9-12,20H,5-8H2,1-2H3,(H2,19,25)(H,21,22)
InChIKeyKKMZQQWZVBKDFC-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.47
Rot. Bonds5

About 2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide

2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide (PubChem CID 46901542) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide
PubChem CID46901542
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide
SMILESCC(C)Nc1cc(-c2cc(C(N)=O)cc(N3CCNCC3)n2)ccn1
InChIInChI=1S/C18H24N6O/c1-12(2)22-16-10-13(3-4-21-16)15-9-14(18(19)25)11-17(23-15)24-7-5-20-6-8-24/h3-4,9-12,20H,5-8H2,1-2H3,(H2,19,25)(H,21,22)
InChIKeyKKMZQQWZVBKDFC-UHFFFAOYSA-N
XLogP1.47
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide (CID 46901542) is 2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide is CC(C)Nc1cc(-c2cc(C(N)=O)cc(N3CCNCC3)n2)ccn1.
What is the InChIKey of 2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide?
The InChIKey is KKMZQQWZVBKDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12(2)22-16-10-13(3-4-21-16)15-9-14(18(19)25)11-17(23-15)24-7-5-20-6-8-24/h3-4,9-12,20H,5-8H2,1-2H3,(H2,19,25)(H,21,22).
What are the key properties of 2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide?
2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 46901542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).