N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine

C13H17N5O2 — CID 124505464

IUPACN-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NC[C@H](C)Cn2ccnc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H17N5O2/c1-10(8-17-4-3-14-9-17)6-15-13-5-11(2)12(7-16-13)18(19)20/h3-5,7,9-10H,6,8H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyQIKVPLZODWMLKQ-JTQLQIEISA-N
MW275.31 g/mol
LogP2.24
Rot. Bonds6

About N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine

N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 124505464) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine
PubChem CID124505464
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NC[C@H](C)Cn2ccnc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H17N5O2/c1-10(8-17-4-3-14-9-17)6-15-13-5-11(2)12(7-16-13)18(19)20/h3-5,7,9-10H,6,8H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyQIKVPLZODWMLKQ-JTQLQIEISA-N
XLogP2.24
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
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

N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 79173030
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
N-(3-imidazol-1-yl-2-methylpropyl)-8-nitroisoquinolin-5-amine
CID 154747629
4-[[(2S)-3-imidazol-1-yl-2-methylpropyl]amino]-3-nitrobenzonitrile
CID 124506096
4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 79173745
5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
CID 83266893
N-(2-imidazol-1-ylethyl)-3-methyl-4-nitroaniline
CID 60969123
N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280700
4-methyl-5-nitro-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
CID 133339375
5-methyl-3-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]hexanoic acid
CID 79165012
3-imidazol-1-yl-N-[(4-methoxy-3-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 119124841
4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine (CID 124505464) is N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine is Cc1cc(NC[C@H](C)Cn2ccnc2)ncc1[N+](=O)[O-].
What is the InChIKey of N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is QIKVPLZODWMLKQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O2/c1-10(8-17-4-3-14-9-17)6-15-13-5-11(2)12(7-16-13)18(19)20/h3-5,7,9-10H,6,8H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine?
N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 275.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 124505464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).