4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide

C16H19N3O — CID 43642445

IUPAC4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N)cn2C2CC2)cc1
InChIInChI=1S/C16H19N3O/c1-11-2-4-12(5-3-11)9-18-16(20)15-8-13(17)10-19(15)14-6-7-14/h2-5,8,10,14H,6-7,9,17H2,1H3,(H,18,20)
InChIKeyYVJKHUDKECCJIV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.64
Rot. Bonds4

About 4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 43642445) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
PubChem CID43642445
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N)cn2C2CC2)cc1
InChIInChI=1S/C16H19N3O/c1-11-2-4-12(5-3-11)9-18-16(20)15-8-13(17)10-19(15)14-6-7-14/h2-5,8,10,14H,6-7,9,17H2,1H3,(H,18,20)
InChIKeyYVJKHUDKECCJIV-UHFFFAOYSA-N
XLogP2.64
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
4-amino-1-cyclopropyl-N-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 62001599
4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 82881718
4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide
CID 43642381
4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 43642172
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide
CID 61117214
4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643776
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide
CID 61401000
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide
CID 106368478

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide (CID 43642445) is 4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide is Cc1ccc(CNC(=O)c2cc(N)cn2C2CC2)cc1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is YVJKHUDKECCJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-2-4-12(5-3-11)9-18-16(20)15-8-13(17)10-19(15)14-6-7-14/h2-5,8,10,14H,6-7,9,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 43642445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).