N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide

C19H21N5O2 — CID 154767252

IUPACN-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCc1ccncc1O[C@H]1CCN(CC#N)C1
InChIInChI=1S/C19H21N5O2/c1-14-10-21-7-3-17(14)19(25)23-11-15-2-6-22-12-18(15)26-16-4-8-24(13-16)9-5-20/h2-3,6-7,10,12,16H,4,8-9,11,13H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyYEFKROYOMNVZNA-INIZCTEOSA-N
MW351.41 g/mol
LogP1.69
Rot. Bonds6

About N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide

N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide (PubChem CID 154767252) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide
PubChem CID154767252
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCc1ccncc1O[C@H]1CCN(CC#N)C1
InChIInChI=1S/C19H21N5O2/c1-14-10-21-7-3-17(14)19(25)23-11-15-2-6-22-12-18(15)26-16-4-8-24(13-16)9-5-20/h2-3,6-7,10,12,16H,4,8-9,11,13H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyYEFKROYOMNVZNA-INIZCTEOSA-N
XLogP1.69
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 124620229
N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide
CID 154767169
N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide
CID 130174525
3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
CID 139331666
N-[(2-methylphenyl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42567850
5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114701656
N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-3-methylpyridine-4-carboxamide
CID 122567974
4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine
CID 167766105
2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996519
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819
N-[(3-methyl-4-pyridinyl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91781720
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide (CID 154767252) is N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)NCc1ccncc1O[C@H]1CCN(CC#N)C1.
What is the InChIKey of N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide?
The InChIKey is YEFKROYOMNVZNA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-10-21-7-3-17(14)19(25)23-11-15-2-6-22-12-18(15)26-16-4-8-24(13-16)9-5-20/h2-3,6-7,10,12,16H,4,8-9,11,13H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide?
N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3S)-1-(cyanomethyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 154767252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).