N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide

C20H21N5O2 — CID 99741494

IUPACN-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccncc4)C3)n[nH]2)cc1
InChIInChI=1S/C20H21N5O2/c1-27-17-4-2-14(3-5-17)18-12-19(24-23-18)25-11-8-16(13-25)22-20(26)15-6-9-21-10-7-15/h2-7,9-10,12,16H,8,11,13H2,1H3,(H,22,26)(H,23,24)/t16-/m0/s1
InChIKeyFTTCUWWFYGAIDA-INIZCTEOSA-N
MW363.42 g/mol
LogP2.49
Rot. Bonds5

About N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide

N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 99741494) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID99741494
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccncc4)C3)n[nH]2)cc1
InChIInChI=1S/C20H21N5O2/c1-27-17-4-2-14(3-5-17)18-12-19(24-23-18)25-11-8-16(13-25)22-20(26)15-6-9-21-10-7-15/h2-7,9-10,12,16H,8,11,13H2,1H3,(H,22,26)(H,23,24)/t16-/m0/s1
InChIKeyFTTCUWWFYGAIDA-INIZCTEOSA-N
XLogP2.49
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide (CID 99741494) is N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide is COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccncc4)C3)n[nH]2)cc1.
What is the InChIKey of N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is FTTCUWWFYGAIDA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-17-4-2-14(3-5-17)18-12-19(24-23-18)25-11-8-16(13-25)22-20(26)15-6-9-21-10-7-15/h2-7,9-10,12,16H,8,11,13H2,1H3,(H,22,26)(H,23,24)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 99741494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).