5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide

C25H27N5O3 — CID 134177910

IUPAC5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide
SMILESCc1c(NC(=O)c2cc(CNCCO)cn(C)c2=O)cccc1-c1cccc2c1cnn2C
InChIInChI=1S/C25H27N5O3/c1-16-18(19-7-5-9-23-21(19)14-27-30(23)3)6-4-8-22(16)28-24(32)20-12-17(13-26-10-11-31)15-29(2)25(20)33/h4-9,12,14-15,26,31H,10-11,13H2,1-3H3,(H,28,32)
InChIKeyDAPXTCNAFSNDOH-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.58
Rot. Bonds7

About 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide

5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 134177910) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide
PubChem CID134177910
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide
SMILESCc1c(NC(=O)c2cc(CNCCO)cn(C)c2=O)cccc1-c1cccc2c1cnn2C
InChIInChI=1S/C25H27N5O3/c1-16-18(19-7-5-9-23-21(19)14-27-30(23)3)6-4-8-22(16)28-24(32)20-12-17(13-26-10-11-31)15-29(2)25(20)33/h4-9,12,14-15,26,31H,10-11,13H2,1-3H3,(H,28,32)
InChIKeyDAPXTCNAFSNDOH-UHFFFAOYSA-N
XLogP2.58
TPSA101.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide (CID 134177910) is 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide is Cc1c(NC(=O)c2cc(CNCCO)cn(C)c2=O)cccc1-c1cccc2c1cnn2C.
What is the InChIKey of 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is DAPXTCNAFSNDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-16-18(19-7-5-9-23-21(19)14-27-30(23)3)6-4-8-22(16)28-24(32)20-12-17(13-26-10-11-31)15-29(2)25(20)33/h4-9,12,14-15,26,31H,10-11,13H2,1-3H3,(H,28,32).
What are the key properties of 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide?
5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyethylamino)methyl]-1-methyl-N-[2-methyl-3-(1-methylindazol-4-yl)phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 134177910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).