N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide

C17H16N4O2 — CID 144570162

IUPACN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CCOc3cccnc32)nc2ccccc21
InChIInChI=1S/C17H16N4O2/c1-21-13-6-3-2-5-11(13)19-16(21)17(22)20-12-8-10-23-14-7-4-9-18-15(12)14/h2-7,9,12H,8,10H2,1H3,(H,20,22)
InChIKeyNAKJWEKHLDVNLN-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.22
Rot. Bonds2

About N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide

N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide (PubChem CID 144570162) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide
PubChem CID144570162
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CCOc3cccnc32)nc2ccccc21
InChIInChI=1S/C17H16N4O2/c1-21-13-6-3-2-5-11(13)19-16(21)17(22)20-12-8-10-23-14-7-4-9-18-15(12)14/h2-7,9,12H,8,10H2,1H3,(H,20,22)
InChIKeyNAKJWEKHLDVNLN-UHFFFAOYSA-N
XLogP2.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)quinoxaline-2-carboxamide
CID 144569816
N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-4-methylbenzamide
CID 144570152
5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 144569932
(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide
CID 161064892
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide
CID 176873000
6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 144569763
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 144570089
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide
CID 144570083
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine
CID 144570129
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 111597779
N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide
CID 110469047
3-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-4-methoxycyclohexane-1-carboxylic acid
CID 123480598

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide (CID 144570162) is N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide is Cn1c(C(=O)NC2CCOc3cccnc32)nc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide?
The InChIKey is NAKJWEKHLDVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21-13-6-3-2-5-11(13)19-16(21)17(22)20-12-8-10-23-14-7-4-9-18-15(12)14/h2-7,9,12H,8,10H2,1H3,(H,20,22).
What are the key properties of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide?
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide is sourced from PubChem (CID 144570162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).