1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C16H21N5O2 — CID 133329629

IUPAC1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1cc(N2CCc3c(nc(C(C)C)n3C)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H21N5O2/c1-10(2)16-18-12-9-20(6-5-13(12)19(16)4)15-7-11(3)14(8-17-15)21(22)23/h7-8,10H,5-6,9H2,1-4H3
InChIKeyRMDBSGRNIXKRDZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.72
Rot. Bonds3

About 1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 133329629) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID133329629
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1cc(N2CCc3c(nc(C(C)C)n3C)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H21N5O2/c1-10(2)16-18-12-9-20(6-5-13(12)19(16)4)15-7-11(3)14(8-17-15)21(22)23/h7-8,10H,5-6,9H2,1-4H3
InChIKeyRMDBSGRNIXKRDZ-UHFFFAOYSA-N
XLogP2.72
TPSA77.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 103976623
methyl 2-chloro-4-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-nitrobenzoate
CID 133388571
5-[(5-fluoro-2-nitrophenyl)methyl]-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 86895699
1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79173009
1-ethylsulfonyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133343061
2-(4-methyl-5-nitro-2-pyridinyl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394734
[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79177007
4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole
CID 75432040
2-(3,3-dimethylpiperidin-1-yl)-4-methyl-5-nitropyridine
CID 133339436
4-ethoxy-6-methyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133329528
(2,5-difluoro-4-methylphenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 119042361
(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 99791620

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 133329629) is 1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cc1cc(N2CCc3c(nc(C(C)C)n3C)C2)ncc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is RMDBSGRNIXKRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)16-18-12-9-20(6-5-13(12)19(16)4)15-7-11(3)14(8-17-15)21(22)23/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 315.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methyl-5-nitro-2-pyridinyl)-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 133329629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).