N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

C17H25N5O2 — CID 110107606

IUPACN-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C17H25N5O2/c1-18-17(24)13-10-21(2)11-14(13)20-16(23)12-5-6-19-15(9-12)22-7-3-4-8-22/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3,(H,18,24)(H,20,23)/t13-,14+/m1/s1
InChIKeyAOBXGWHVCRFIJV-KGLIPLIRSA-N
MW331.42 g/mol
LogP0.09
Rot. Bonds4

About N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 110107606) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID110107606
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C17H25N5O2/c1-18-17(24)13-10-21(2)11-14(13)20-16(23)12-5-6-19-15(9-12)22-7-3-4-8-22/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3,(H,18,24)(H,20,23)/t13-,14+/m1/s1
InChIKeyAOBXGWHVCRFIJV-KGLIPLIRSA-N
XLogP0.09
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 110107606) is N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccnc(N2CCCC2)c1.
What is the InChIKey of N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is AOBXGWHVCRFIJV-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-18-17(24)13-10-21(2)11-14(13)20-16(23)12-5-6-19-15(9-12)22-7-3-4-8-22/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3,(H,18,24)(H,20,23)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 110107606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).