N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide

C23H26N4O4 — CID 162646208

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c(=O)n1C
InChIInChI=1S/C23H26N4O4/c1-15-17(12-16-4-6-18(7-5-16)27-10-3-9-24-27)13-19(23(30)26(15)2)22(29)25-20-8-11-31-14-21(20)28/h3-7,9-10,13,20-21,28H,8,11-12,14H2,1-2H3,(H,25,29)/t20-,21-/m0/s1
InChIKeyVPRNLXJMSMJYHA-SFTDATJTSA-N
MW422.49 g/mol
LogP1.35
Rot. Bonds5

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 162646208) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
PubChem CID162646208
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c(=O)n1C
InChIInChI=1S/C23H26N4O4/c1-15-17(12-16-4-6-18(7-5-16)27-10-3-9-24-27)13-19(23(30)26(15)2)22(29)25-20-8-11-31-14-21(20)28/h3-7,9-10,13,20-21,28H,8,11-12,14H2,1-2H3,(H,25,29)/t20-,21-/m0/s1
InChIKeyVPRNLXJMSMJYHA-SFTDATJTSA-N
XLogP1.35
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

rac-(2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)butanamide
CID 54582811
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663182
N-((2S,3R)-4-(4-(3-(1H-pyrazol-1-yl)phenyl)tetrahydro-2H-pyran-4-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 52948341
N-[(1S,2S)-2,5-dihydroxycyclohexyl]-6-methyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide
CID 145969354
N-[(1S,2S)-2-hydroxycyclohexyl]-6-(hydroxymethyl)-1-methyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 145969714
N-[(1S,2S)-2,4-dihydroxycyclohexyl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 145970252
N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 145970395
N-[(1S,2S)-2,4-dihydroxycyclohexyl]-6-(hydroxymethyl)-1-methyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 145986351
N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 162646270
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 162654237
2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 162655325
N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 162659967

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide (CID 162646208) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide is Cc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c(=O)n1C.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is VPRNLXJMSMJYHA-SFTDATJTSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-15-17(12-16-4-6-18(7-5-16)27-10-3-9-24-27)13-19(23(30)26(15)2)22(29)25-20-8-11-31-14-21(20)28/h3-7,9-10,13,20-21,28H,8,11-12,14H2,1-2H3,(H,25,29)/t20-,21-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 162646208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).