N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide

C16H19N3O — CID 66399986

IUPACN-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
SMILESCn1ccc(CNc2cccc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C16H19N3O/c1-19-8-7-12(11-19)10-17-15-4-2-3-13(9-15)16(20)18-14-5-6-14/h2-4,7-9,11,14,17H,5-6,10H2,1H3,(H,18,20)
InChIKeyRQUXSBXVZMVCRH-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.53
Rot. Bonds5

About N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide

N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide (PubChem CID 66399986) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
PubChem CID66399986
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
SMILESCn1ccc(CNc2cccc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C16H19N3O/c1-19-8-7-12(11-19)10-17-15-4-2-3-13(9-15)16(20)18-14-5-6-14/h2-4,7-9,11,14,17H,5-6,10H2,1H3,(H,18,20)
InChIKeyRQUXSBXVZMVCRH-UHFFFAOYSA-N
XLogP2.53
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 28658973
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CID 162638258
3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide
CID 66386042
N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656504
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide
CID 43768412
N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide
CID 62083752
N-cyclopropyl-3-[(4-methoxy-2-methylphenyl)methylamino]benzamide
CID 167899942
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide (CID 66399986) is N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide is Cn1ccc(CNc2cccc(C(=O)NC3CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The InChIKey is RQUXSBXVZMVCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-8-7-12(11-19)10-17-15-4-2-3-13(9-15)16(20)18-14-5-6-14/h2-4,7-9,11,14,17H,5-6,10H2,1H3,(H,18,20).
What are the key properties of N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide is sourced from PubChem (CID 66399986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).