N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide

C16H21N5O — CID 129246902

IUPACN-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESN#CN1CCC(CNC(=O)c2cc(N3CCCC3)ccn2)C1
InChIInChI=1S/C16H21N5O/c17-12-20-8-4-13(11-20)10-19-16(22)15-9-14(3-5-18-15)21-6-1-2-7-21/h3,5,9,13H,1-2,4,6-8,10-11H2,(H,19,22)
InChIKeyIHMFMCZUAYSYLG-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.21
Rot. Bonds4

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

N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 129246902) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID129246902
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESN#CN1CCC(CNC(=O)c2cc(N3CCCC3)ccn2)C1
InChIInChI=1S/C16H21N5O/c17-12-20-8-4-13(11-20)10-19-16(22)15-9-14(3-5-18-15)21-6-1-2-7-21/h3,5,9,13H,1-2,4,6-8,10-11H2,(H,19,22)
InChIKeyIHMFMCZUAYSYLG-UHFFFAOYSA-N
XLogP1.21
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyanopyrrolidin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129247026
1-(3-cyanophenyl)-N-[(1-cyanopyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 139469230
4-ethyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 136520406
N-[(1-cyanopyrrolidin-3-yl)methyl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 129247135
N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 131927095
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide
CID 133355871
N-[(1-cyanopyrrolidin-3-yl)methyl]-5-phenyl-1,3-thiazole-2-carboxamide
CID 129246863
1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione
CID 143079234
4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
CID 109217503

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 129246902) is N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is N#CN1CCC(CNC(=O)c2cc(N3CCCC3)ccn2)C1.
What is the InChIKey of N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is IHMFMCZUAYSYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-12-20-8-4-13(11-20)10-19-16(22)15-9-14(3-5-18-15)21-6-1-2-7-21/h3,5,9,13H,1-2,4,6-8,10-11H2,(H,19,22).
What are the key properties of N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 129246902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).