N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

C17H23N3O2 — CID 119759921

IUPACN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)C1CCNC1
InChIInChI=1S/C17H23N3O2/c1-12-10-13(17(22)20-8-2-3-9-20)4-5-15(12)19-16(21)14-6-7-18-11-14/h4-5,10,14,18H,2-3,6-9,11H2,1H3,(H,19,21)
InChIKeyUVGXWBVRRYGUGL-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.78
Rot. Bonds3

About N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 119759921) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID119759921
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)C1CCNC1
InChIInChI=1S/C17H23N3O2/c1-12-10-13(17(22)20-8-2-3-9-20)4-5-15(12)19-16(21)14-6-7-18-11-14/h4-5,10,14,18H,2-3,6-9,11H2,1H3,(H,19,21)
InChIKeyUVGXWBVRRYGUGL-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide
CID 63007219
(2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 154915135
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119715831
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380
N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 119310578
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide
CID 119286388
N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119753458
N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119685018
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (CID 119759921) is N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C1CCNC1.
What is the InChIKey of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is UVGXWBVRRYGUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-10-13(17(22)20-8-2-3-9-20)4-5-15(12)19-16(21)14-6-7-18-11-14/h4-5,10,14,18H,2-3,6-9,11H2,1H3,(H,19,21).
What are the key properties of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119759921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).