N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide

C24H25FN4O — CID 92572787

IUPACN-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
SMILESO=C(N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)c1ccccn1
InChIInChI=1S/C24H25FN4O/c25-20-8-2-1-7-19(20)17-29-15-11-18(12-16-29)23(21-9-3-5-13-26-21)28-24(30)22-10-4-6-14-27-22/h1-10,13-14,18,23H,11-12,15-17H2,(H,28,30)/t23-/m0/s1
InChIKeyMQCNBXANYJQPSU-QHCPKHFHSA-N
MW404.49 g/mol
LogP4.00
Rot. Bonds6

About N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide

N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide (PubChem CID 92572787) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
PubChem CID92572787
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
SMILESO=C(N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)c1ccccn1
InChIInChI=1S/C24H25FN4O/c25-20-8-2-1-7-19(20)17-29-15-11-18(12-16-29)23(21-9-3-5-13-26-21)28-24(30)22-10-4-6-14-27-22/h1-10,13-14,18,23H,11-12,15-17H2,(H,28,30)/t23-/m0/s1
InChIKeyMQCNBXANYJQPSU-QHCPKHFHSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-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

3-fluoro-N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 92572784
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 95857787
2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228657
N-[[1-(2-phenylpropyl)piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 110226658
N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92581935
N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561820
3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 95795487
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide
CID 110229241
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
N-[(S)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 95795528
2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 92574491

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide (CID 92572787) is N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide is O=C(N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)c1ccccn1.
What is the InChIKey of N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide?
The InChIKey is MQCNBXANYJQPSU-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-20-8-2-1-7-19(20)17-29-15-11-18(12-16-29)23(21-9-3-5-13-26-21)28-24(30)22-10-4-6-14-27-22/h1-10,13-14,18,23H,11-12,15-17H2,(H,28,30)/t23-/m0/s1.
What are the key properties of N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide?
N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide is sourced from PubChem (CID 92572787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).