(6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone

C18H19N5O — CID 112523720

IUPAC(6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
SMILESCc1nc2ccc(N)cc2n1C(=O)c1cncc2c1CCN(C)C2
InChIInChI=1S/C18H19N5O/c1-11-21-16-4-3-13(19)7-17(16)23(11)18(24)15-9-20-8-12-10-22(2)6-5-14(12)15/h3-4,7-9H,5-6,10,19H2,1-2H3
InChIKeyPCPWBAFMXAQCDG-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.00
Rot. Bonds1

About (6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone

(6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone (PubChem CID 112523720) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone.

Molecular Properties

Compound Name(6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
PubChem CID112523720
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
SMILESCc1nc2ccc(N)cc2n1C(=O)c1cncc2c1CCN(C)C2
InChIInChI=1S/C18H19N5O/c1-11-21-16-4-3-13(19)7-17(16)23(11)18(24)15-9-20-8-12-10-22(2)6-5-14(12)15/h3-4,7-9H,5-6,10,19H2,1-2H3
InChIKeyPCPWBAFMXAQCDG-UHFFFAOYSA-N
XLogP2.00
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl)-1,3-benzoxazol-2-one
CID 112522972
(3-amino-2-methylindol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112527118
(6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 112523699
N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112528118
1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 112526485
(6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 112523690
5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112527574
7-methyl-N-[2-(2-methylphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529239
7-methyl-N-(2-pyridin-4-ylethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530216
8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 110489469
1-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)propan-2-one
CID 83832573
7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532735

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone?
The IUPAC name of (6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone (CID 112523720) is (6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone.
What is the SMILES notation for (6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone?
The canonical SMILES for (6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone is Cc1nc2ccc(N)cc2n1C(=O)c1cncc2c1CCN(C)C2.
What is the InChIKey of (6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone?
The InChIKey is PCPWBAFMXAQCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-21-16-4-3-13(19)7-17(16)23(11)18(24)15-9-20-8-12-10-22(2)6-5-14(12)15/h3-4,7-9H,5-6,10,19H2,1-2H3.
What are the key properties of (6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone?
(6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-methylbenzimidazol-1-yl)-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone is sourced from PubChem (CID 112523720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).