6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine

C14H17N5O2 — CID 136561939

IUPAC6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine
SMILESCc1nc(NCc2nc3c([nH]2)CCCC3)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N5O2/c1-9-12(19(20)21)6-7-13(16-9)15-8-14-17-10-4-2-3-5-11(10)18-14/h6-7H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyIWGYDHPKPTWTPF-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.51
Rot. Bonds4

About 6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine

6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine (PubChem CID 136561939) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine
PubChem CID136561939
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine
SMILESCc1nc(NCc2nc3c([nH]2)CCCC3)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N5O2/c1-9-12(19(20)21)6-7-13(16-9)15-8-14-17-10-4-2-3-5-11(10)18-14/h6-7H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyIWGYDHPKPTWTPF-UHFFFAOYSA-N
XLogP2.51
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80718457
N-[(4-aminophenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 116650504
6-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80718363
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
1-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 80710451
6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 80718550
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80719127
6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine
CID 80711618
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine
CID 133491630

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine (CID 136561939) is 6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine is Cc1nc(NCc2nc3c([nH]2)CCCC3)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
The InChIKey is IWGYDHPKPTWTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-12(19(20)21)6-7-13(16-9)15-8-14-17-10-4-2-3-5-11(10)18-14/h6-7H,2-5,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 136561939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).