N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide

C24H29N9O — CID 67127837

IUPACN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)C1CCNCC1
InChIInChI=1S/C24H29N9O/c34-24(17-1-4-25-5-2-17)30-19-14-20(31-21(15-19)32-22-16-27-7-8-28-22)18-3-6-29-23(13-18)33-11-9-26-10-12-33/h3,6-8,13-17,25-26H,1-2,4-5,9-12H2,(H2,28,30,31,32,34)
InChIKeyQSCKRBMLUAELRX-UHFFFAOYSA-N
MW459.56 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide

N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide (PubChem CID 67127837) has the molecular formula C24H29N9O and a molecular weight of 459.56 g/mol. Its IUPAC name is N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
PubChem CID67127837
Molecular FormulaC24H29N9O
Molecular Weight459.56 g/mol
Exact Mass459.25
IUPAC NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)C1CCNCC1
InChIInChI=1S/C24H29N9O/c34-24(17-1-4-25-5-2-17)30-19-14-20(31-21(15-19)32-22-16-27-7-8-28-22)18-3-6-29-23(13-18)33-11-9-26-10-12-33/h3,6-8,13-17,25-26H,1-2,4-5,9-12H2,(H2,28,30,31,32,34)
InChIKeyQSCKRBMLUAELRX-UHFFFAOYSA-N
XLogP2.02
TPSA119.99 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.56
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide (CID 67127837) is N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide is O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)C1CCNCC1.
What is the InChIKey of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide?
The InChIKey is QSCKRBMLUAELRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O/c34-24(17-1-4-25-5-2-17)30-19-14-20(31-21(15-19)32-22-16-27-7-8-28-22)18-3-6-29-23(13-18)33-11-9-26-10-12-33/h3,6-8,13-17,25-26H,1-2,4-5,9-12H2,(H2,28,30,31,32,34).
What are the key properties of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide?
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide has a molecular weight of 459.56 g/mol, XLogP of 2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 67127837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).