4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide

C19H26N4O — CID 151756984

IUPAC4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide
SMILESCCCn1ccc(Nc2cc(C(=O)NC3CC3)ccc2CN)c1C
InChIInChI=1S/C19H26N4O/c1-3-9-23-10-8-17(13(23)2)22-18-11-14(4-5-15(18)12-20)19(24)21-16-6-7-16/h4-5,8,10-11,16,22H,3,6-7,9,12,20H2,1-2H3,(H,21,24)
InChIKeyRPTJDVHRAXWHAQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.30
Rot. Bonds7

About 4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide

4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide (PubChem CID 151756984) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide
PubChem CID151756984
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide
SMILESCCCn1ccc(Nc2cc(C(=O)NC3CC3)ccc2CN)c1C
InChIInChI=1S/C19H26N4O/c1-3-9-23-10-8-17(13(23)2)22-18-11-14(4-5-15(18)12-20)19(24)21-16-6-7-16/h4-5,8,10-11,16,22H,3,6-7,9,12,20H2,1-2H3,(H,21,24)
InChIKeyRPTJDVHRAXWHAQ-UHFFFAOYSA-N
XLogP3.30
TPSA72.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 174606369
3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide
CID 100623628
N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 175265911
N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide
CID 174591618
ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate
CID 58328161
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide
CID 100629829
3-amino-4-anilino-N-cyclopropylbenzamide
CID 84819042
3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653447
4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808069
3-amino-4-[[(2R)-butan-2-yl]amino]-N-cyclopropylbenzamide
CID 100619856

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide (CID 151756984) is 4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide is CCCn1ccc(Nc2cc(C(=O)NC3CC3)ccc2CN)c1C.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide?
The InChIKey is RPTJDVHRAXWHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-9-23-10-8-17(13(23)2)22-18-11-14(4-5-15(18)12-20)19(24)21-16-6-7-16/h4-5,8,10-11,16,22H,3,6-7,9,12,20H2,1-2H3,(H,21,24).
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide?
4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide has a molecular weight of 326.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide is sourced from PubChem (CID 151756984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).