N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide

C24H28N4OS — CID 124818980

IUPACN-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESC[C@H](CN1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1
InChIInChI=1S/C24H28N4OS/c1-18(19-8-3-2-4-9-19)16-28-14-7-10-20(17-28)22(24-26-13-15-30-24)27-23(29)21-11-5-6-12-25-21/h2-6,8-9,11-13,15,18,20,22H,7,10,14,16-17H2,1H3,(H,27,29)/t18-,20+,22-/m1/s1
InChIKeyAMPDDSIZYOYEQN-KAGYGMCKSA-N
MW420.58 g/mol
LogP4.52
Rot. Bonds7

About N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide

N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 124818980) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID124818980
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC NameN-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESC[C@H](CN1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1
InChIInChI=1S/C24H28N4OS/c1-18(19-8-3-2-4-9-19)16-28-14-7-10-20(17-28)22(24-26-13-15-30-24)27-23(29)21-11-5-6-12-25-21/h2-6,8-9,11-13,15,18,20,22H,7,10,14,16-17H2,1H3,(H,27,29)/t18-,20+,22-/m1/s1
InChIKeyAMPDDSIZYOYEQN-KAGYGMCKSA-N
XLogP4.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 93239140
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride
CID 171667022
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110243763
N-[(R)-[1-[(2S)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 92581935
N-[[1-(2-phenylpropyl)piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 110226658
N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
CID 92574131
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215595
N-[(S)-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
CID 95802225
N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110234693
N-[[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215598
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215566

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (CID 124818980) is N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is C[C@H](CN1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1.
What is the InChIKey of N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is AMPDDSIZYOYEQN-KAGYGMCKSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-18(19-8-3-2-4-9-19)16-28-14-7-10-20(17-28)22(24-26-13-15-30-24)27-23(29)21-11-5-6-12-25-21/h2-6,8-9,11-13,15,18,20,22H,7,10,14,16-17H2,1H3,(H,27,29)/t18-,20+,22-/m1/s1.
What are the key properties of N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 124818980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).