N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C24H27N7O — CID 165415240

IUPACN-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H27N7O/c32-24(29-19-8-10-31(11-9-19)15-17-4-2-1-3-5-17)22-23(28-20-12-25-16-26-13-20)27-14-21(30-22)18-6-7-18/h1-5,12-14,16,18-19H,6-11,15H2,(H,27,28)(H,29,32)
InChIKeyPQDUSYJXPWKFOK-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.28
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415240) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415240
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H27N7O/c32-24(29-19-8-10-31(11-9-19)15-17-4-2-1-3-5-17)22-23(28-20-12-25-16-26-13-20)27-14-21(30-22)18-6-7-18/h1-5,12-14,16,18-19H,6-11,15H2,(H,27,28)(H,29,32)
InChIKeyPQDUSYJXPWKFOK-UHFFFAOYSA-N
XLogP3.28
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165414911
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
CID 42866628
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
2-amino-N-(1-benzylpiperidin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115704
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
CID 95254725
N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866621
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415240) is N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is PQDUSYJXPWKFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c32-24(29-19-8-10-31(11-9-19)15-17-4-2-1-3-5-17)22-23(28-20-12-25-16-26-13-20)27-14-21(30-22)18-6-7-18/h1-5,12-14,16,18-19H,6-11,15H2,(H,27,28)(H,29,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).