1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide

C19H17N5O2 — CID 22291925

IUPAC1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCc1ccncc1C(=O)Nn1nc(C(N)=O)c2c1-c1ccccc1CC2
InChIInChI=1S/C19H17N5O2/c1-11-8-9-21-10-15(11)19(26)23-24-17-13-5-3-2-4-12(13)6-7-14(17)16(22-24)18(20)25/h2-5,8-10H,6-7H2,1H3,(H2,20,25)(H,23,26)
InChIKeyIPZWKVXGOJUROP-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.83
Rot. Bonds3

About 1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide

1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 22291925) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID22291925
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCc1ccncc1C(=O)Nn1nc(C(N)=O)c2c1-c1ccccc1CC2
InChIInChI=1S/C19H17N5O2/c1-11-8-9-21-10-15(11)19(26)23-24-17-13-5-3-2-4-12(13)6-7-14(17)16(22-24)18(20)25/h2-5,8-10H,6-7H2,1H3,(H2,20,25)(H,23,26)
InChIKeyIPZWKVXGOJUROP-UHFFFAOYSA-N
XLogP1.83
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 22291925) is 1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide is Cc1ccncc1C(=O)Nn1nc(C(N)=O)c2c1-c1ccccc1CC2.
What is the InChIKey of 1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is IPZWKVXGOJUROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11-8-9-21-10-15(11)19(26)23-24-17-13-5-3-2-4-12(13)6-7-14(17)16(22-24)18(20)25/h2-5,8-10H,6-7H2,1H3,(H2,20,25)(H,23,26).
What are the key properties of 1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpyridine-3-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 22291925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).