4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide

C20H21N7O — CID 126448073

IUPAC4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
SMILESNc1cc(-c2ccc(C(=O)N[C@H]3CCCN(c4cnccn4)C3)cc2)ncn1
InChIInChI=1S/C20H21N7O/c21-18-10-17(24-13-25-18)14-3-5-15(6-4-14)20(28)26-16-2-1-9-27(12-16)19-11-22-7-8-23-19/h3-8,10-11,13,16H,1-2,9,12H2,(H,26,28)(H2,21,24,25)/t16-/m0/s1
InChIKeyWYXCCWXGGZPGIZ-INIZCTEOSA-N
MW375.44 g/mol
LogP1.91
Rot. Bonds4

About 4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide

4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide (PubChem CID 126448073) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
PubChem CID126448073
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
SMILESNc1cc(-c2ccc(C(=O)N[C@H]3CCCN(c4cnccn4)C3)cc2)ncn1
InChIInChI=1S/C20H21N7O/c21-18-10-17(24-13-25-18)14-3-5-15(6-4-14)20(28)26-16-2-1-9-27(12-16)19-11-22-7-8-23-19/h3-8,10-11,13,16H,1-2,9,12H2,(H,26,28)(H2,21,24,25)/t16-/m0/s1
InChIKeyWYXCCWXGGZPGIZ-INIZCTEOSA-N
XLogP1.91
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
3-(4-methoxyphenyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 126442521
3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126433211
4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide
CID 119062377
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826
N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 119067566
N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 53181017
1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
CID 126429000
1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]urea
CID 125156208
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
The IUPAC name of 4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide (CID 126448073) is 4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide.
What is the SMILES notation for 4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
The canonical SMILES for 4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide is Nc1cc(-c2ccc(C(=O)N[C@H]3CCCN(c4cnccn4)C3)cc2)ncn1.
What is the InChIKey of 4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
The InChIKey is WYXCCWXGGZPGIZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N7O/c21-18-10-17(24-13-25-18)14-3-5-15(6-4-14)20(28)26-16-2-1-9-27(12-16)19-11-22-7-8-23-19/h3-8,10-11,13,16H,1-2,9,12H2,(H,26,28)(H2,21,24,25)/t16-/m0/s1.
What are the key properties of 4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide has a molecular weight of 375.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide is sourced from PubChem (CID 126448073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).