N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide

C15H18N4O — CID 62763062

IUPACN-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide
SMILESCC(C)NC(=O)c1ccc(NCc2cnccn2)cc1
InChIInChI=1S/C15H18N4O/c1-11(2)19-15(20)12-3-5-13(6-4-12)18-10-14-9-16-7-8-17-14/h3-9,11,18H,10H2,1-2H3,(H,19,20)
InChIKeyCGSZJFACMFHTJI-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.23
Rot. Bonds5

About N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide

N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide (PubChem CID 62763062) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide
PubChem CID62763062
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide
SMILESCC(C)NC(=O)c1ccc(NCc2cnccn2)cc1
InChIInChI=1S/C15H18N4O/c1-11(2)19-15(20)12-3-5-13(6-4-12)18-10-14-9-16-7-8-17-14/h3-9,11,18H,10H2,1-2H3,(H,19,20)
InChIKeyCGSZJFACMFHTJI-UHFFFAOYSA-N
XLogP2.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline
CID 55109980
ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate
CID 62762350
1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine
CID 83962412
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
CID 90653962
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
4-amino-N-(pyrazin-2-ylmethyl)benzamide
CID 110476278
(2S)-5-[[(2S)-2-amino-3-[[(2S)-1-[(1-carboxy-2-sulfanylethyl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-5-oxo-2-[[4-(pyrazin-2-ylmethylamino)benzoyl]amino]pentanoic acid
CID 163863307
4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934712
4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 131941237
4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934971
2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246976

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide?
The IUPAC name of N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide (CID 62763062) is N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide.
What is the SMILES notation for N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide?
The canonical SMILES for N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide is CC(C)NC(=O)c1ccc(NCc2cnccn2)cc1.
What is the InChIKey of N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide?
The InChIKey is CGSZJFACMFHTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(2)19-15(20)12-3-5-13(6-4-12)18-10-14-9-16-7-8-17-14/h3-9,11,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide?
N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide has a molecular weight of 270.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide is sourced from PubChem (CID 62763062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).