(6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine

C15H18N4O2 — CID 97241483

IUPAC(6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESCc1ccc(N[C@H]2CCc3nc(C)cn3C2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O2/c1-10-3-5-13(14(7-10)19(20)21)17-12-4-6-15-16-11(2)8-18(15)9-12/h3,5,7-8,12,17H,4,6,9H2,1-2H3/t12-/m0/s1
InChIKeyRBIBXSJURXUSJN-LBPRGKRZSA-N
MW286.34 g/mol
LogP2.84
Rot. Bonds3

About (6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine

(6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (PubChem CID 97241483) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
PubChem CID97241483
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name(6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESCc1ccc(N[C@H]2CCc3nc(C)cn3C2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O2/c1-10-3-5-13(14(7-10)19(20)21)17-12-4-6-15-16-11(2)8-18(15)9-12/h3,5,7-8,12,17H,4,6,9H2,1-2H3/t12-/m0/s1
InChIKeyRBIBXSJURXUSJN-LBPRGKRZSA-N
XLogP2.84
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
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

1-methyl-5-(4-methyl-2-nitroanilino)piperidin-2-one
CID 64667803
2-chloro-N-(4-methyl-2-nitrophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81234540
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-nitrobenzenesulfonamide
CID 71870924
1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133357093
N-(4-bromo-2-nitrophenyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281746
N-(4-methyl-2-nitrophenyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine
CID 133340791
N-(4-methyl-2-nitrophenyl)thian-3-amine
CID 55129449
2-(3-methylphenyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95788774
methyl 4-(4-methyl-2-nitroanilino)cyclohexane-1-carboxylate
CID 115671751
[4-(4-methyl-2-nitroanilino)piperidin-1-yl]-(4-methylphenyl)methanone
CID 133389526
N-(4-methyl-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 43599074
2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95135863

Frequently Asked Questions

What is the IUPAC name of (6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of (6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (CID 97241483) is (6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for (6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for (6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is Cc1ccc(N[C@H]2CCc3nc(C)cn3C2)c([N+](=O)[O-])c1.
What is the InChIKey of (6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The InChIKey is RBIBXSJURXUSJN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-3-5-13(14(7-10)19(20)21)17-12-4-6-15-16-11(2)8-18(15)9-12/h3,5,7-8,12,17H,4,6,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
(6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine has a molecular weight of 286.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 97241483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).