N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

C22H28N4O2 — CID 3213409

IUPACN-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1cccc(N(CC(=O)NC(C)C)C(=O)c2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C22H28N4O2/c1-16(2)24-21(27)15-26(19-8-6-7-17(3)13-19)22(28)18-9-10-20(23-14-18)25-11-4-5-12-25/h6-10,13-14,16H,4-5,11-12,15H2,1-3H3,(H,24,27)
InChIKeyQSPVAHWTVWEOJW-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.16
Rot. Bonds6

About N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 3213409) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID3213409
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1cccc(N(CC(=O)NC(C)C)C(=O)c2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C22H28N4O2/c1-16(2)24-21(27)15-26(19-8-6-7-17(3)13-19)22(28)18-9-10-20(23-14-18)25-11-4-5-12-25/h6-10,13-14,16H,4-5,11-12,15H2,1-3H3,(H,24,27)
InChIKeyQSPVAHWTVWEOJW-UHFFFAOYSA-N
XLogP3.16
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 3213409) is N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is Cc1cccc(N(CC(=O)NC(C)C)C(=O)c2ccc(N3CCCC3)nc2)c1.
What is the InChIKey of N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is QSPVAHWTVWEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16(2)24-21(27)15-26(19-8-6-7-17(3)13-19)22(28)18-9-10-20(23-14-18)25-11-4-5-12-25/h6-10,13-14,16H,4-5,11-12,15H2,1-3H3,(H,24,27).
What are the key properties of N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 3213409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).