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

C26H30N4O — CID 92581935

IUPACN-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
SMILESC[C@H](CN1CCC([C@@H](NC(=O)c2ccccn2)c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C26H30N4O/c1-20(21-9-3-2-4-10-21)19-30-17-13-22(14-18-30)25(23-11-5-7-15-27-23)29-26(31)24-12-6-8-16-28-24/h2-12,15-16,20,22,25H,13-14,17-19H2,1H3,(H,29,31)/t20-,25-/m1/s1
InChIKeyVUFBHDOSMCVXAB-CJFMBICVSA-N
MW414.55 g/mol
LogP4.46
Rot. Bonds7

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

N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide (PubChem CID 92581935) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
PubChem CID92581935
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC NameN-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
SMILESC[C@H](CN1CCC([C@@H](NC(=O)c2ccccn2)c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C26H30N4O/c1-20(21-9-3-2-4-10-21)19-30-17-13-22(14-18-30)25(23-11-5-7-15-27-23)29-26(31)24-12-6-8-16-28-24/h2-12,15-16,20,22,25H,13-14,17-19H2,1H3,(H,29,31)/t20-,25-/m1/s1
InChIKeyVUFBHDOSMCVXAB-CJFMBICVSA-N
XLogP4.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-phenylpropyl)piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 110226658
2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
CID 92581928
N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92581839
N-[(S)-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92572787
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 95857787
N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 124818980
N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42424717
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 95629246
2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 92574491
2-phenyl-N-[pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 110228582
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228631

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide (CID 92581935) is N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide is C[C@H](CN1CCC([C@@H](NC(=O)c2ccccn2)c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide?
The InChIKey is VUFBHDOSMCVXAB-CJFMBICVSA-N. The full InChI is InChI=1S/C26H30N4O/c1-20(21-9-3-2-4-10-21)19-30-17-13-22(14-18-30)25(23-11-5-7-15-27-23)29-26(31)24-12-6-8-16-28-24/h2-12,15-16,20,22,25H,13-14,17-19H2,1H3,(H,29,31)/t20-,25-/m1/s1.
What are the key properties of N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide?
N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide is sourced from PubChem (CID 92581935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).