7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C19H18N4O2 — CID 20954035

IUPAC7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCc1cccnc1
InChIInChI=1S/C19H18N4O2/c1-25-14-5-7-15-13(9-14)4-6-16-17(15)22-23-18(16)19(24)21-11-12-3-2-8-20-10-12/h2-3,5,7-10H,4,6,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyCOQXUQXYLTULAN-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.51
Rot. Bonds4

About 7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20954035) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20954035
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCc1cccnc1
InChIInChI=1S/C19H18N4O2/c1-25-14-5-7-15-13(9-14)4-6-16-17(15)22-23-18(16)19(24)21-11-12-3-2-8-20-10-12/h2-3,5,7-10H,4,6,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyCOQXUQXYLTULAN-UHFFFAOYSA-N
XLogP2.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954044
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 46091633
5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42397418
4-[(2Z)-2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]-N-(pyridin-3-ylmethyl)benzamide
CID 69212628
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954148
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954136
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153
3-(2,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3333611
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953968
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 22513802

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20954035) is 7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCc1cccnc1.
What is the InChIKey of 7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is COQXUQXYLTULAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-14-5-7-15-13(9-14)4-6-16-17(15)22-23-18(16)19(24)21-11-12-3-2-8-20-10-12/h2-3,5,7-10H,4,6,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20954035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).