N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide

C25H23N5O2 — CID 118213031

IUPACN-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1[nH]nc2ccccc12)c1cncc(Cc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C25H23N5O2/c31-24-6-3-11-30(24)20-9-7-17(8-10-20)12-18-13-19(15-26-14-18)25(32)27-16-23-21-4-1-2-5-22(21)28-29-23/h1-2,4-5,7-10,13-15H,3,6,11-12,16H2,(H,27,32)(H,28,29)
InChIKeyHSQZGUMGEUJRFC-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.61
Rot. Bonds6

About N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide

N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 118213031) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID118213031
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1[nH]nc2ccccc12)c1cncc(Cc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C25H23N5O2/c31-24-6-3-11-30(24)20-9-7-17(8-10-20)12-18-13-19(15-26-14-18)25(32)27-16-23-21-4-1-2-5-22(21)28-29-23/h1-2,4-5,7-10,13-15H,3,6,11-12,16H2,(H,27,32)(H,28,29)
InChIKeyHSQZGUMGEUJRFC-UHFFFAOYSA-N
XLogP3.61
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 75370768
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
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N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171709608
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
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1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[4,5-b]pyridine-6-carboxamide
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4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
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2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
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5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 78859139
4-(2-oxopyrrolidin-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
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N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165424880
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide (CID 118213031) is N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1[nH]nc2ccccc12)c1cncc(Cc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is HSQZGUMGEUJRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-24-6-3-11-30(24)20-9-7-17(8-10-20)12-18-13-19(15-26-14-18)25(32)27-16-23-21-4-1-2-5-22(21)28-29-23/h1-2,4-5,7-10,13-15H,3,6,11-12,16H2,(H,27,32)(H,28,29).
What are the key properties of N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118213031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).