(3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide

C20H23N5O — CID 97160993

IUPAC(3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESN#Cc1ccncc1NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1
InChIInChI=1S/C20H23N5O/c21-10-17-6-7-23-12-19(17)24-11-15-3-1-4-16(9-15)13-25-8-2-5-18(14-25)20(22)26/h1,3-4,6-7,9,12,18,24H,2,5,8,11,13-14H2,(H2,22,26)/t18-/m1/s1
InChIKeyWSHQKPQPVOMVFP-GOSISDBHSA-N
MW349.44 g/mol
LogP2.26
Rot. Bonds6

About (3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide

(3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 97160993) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID97160993
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESN#Cc1ccncc1NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1
InChIInChI=1S/C20H23N5O/c21-10-17-6-7-23-12-19(17)24-11-15-3-1-4-16(9-15)13-25-8-2-5-18(14-25)20(22)26/h1,3-4,6-7,9,12,18,24H,2,5,8,11,13-14H2,(H2,22,26)/t18-/m1/s1
InChIKeyWSHQKPQPVOMVFP-GOSISDBHSA-N
XLogP2.26
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[3-[(2-cyano-4-fluoroanilino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 133320904
1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 133320910
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136573921
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119126186
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[3-[[[2-(cyclopentanecarbonylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900740
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119877008

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide (CID 97160993) is (3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide is N#Cc1ccncc1NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1.
What is the InChIKey of (3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is WSHQKPQPVOMVFP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O/c21-10-17-6-7-23-12-19(17)24-11-15-3-1-4-16(9-15)13-25-8-2-5-18(14-25)20(22)26/h1,3-4,6-7,9,12,18,24H,2,5,8,11,13-14H2,(H2,22,26)/t18-/m1/s1.
What are the key properties of (3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 97160993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).