N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C18H18N4O2 — CID 99637282

IUPACN-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCO[C@H](CNC(=O)c1cccc(-n2cccn2)n1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-24-16(14-7-3-2-4-8-14)13-19-18(23)15-9-5-10-17(21-15)22-12-6-11-20-22/h2-12,16H,13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyCKGVMWBKBKCURR-MRXNPFEDSA-N
MW322.37 g/mol
LogP2.38
Rot. Bonds6

About N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 99637282) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID99637282
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCO[C@H](CNC(=O)c1cccc(-n2cccn2)n1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-24-16(14-7-3-2-4-8-14)13-19-18(23)15-9-5-10-17(21-15)22-12-6-11-20-22/h2-12,16H,13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyCKGVMWBKBKCURR-MRXNPFEDSA-N
XLogP2.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 99637282) is N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide is CO[C@H](CNC(=O)c1cccc(-n2cccn2)n1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is CKGVMWBKBKCURR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-16(14-7-3-2-4-8-14)13-19-18(23)15-9-5-10-17(21-15)22-12-6-11-20-22/h2-12,16H,13H2,1H3,(H,19,23)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 99637282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).