indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone

C19H19N5O3 — CID 139664540

IUPACindol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESO=C(N1CCC(Nc2ncccc2[N+](=O)[O-])CC1)n1ccc2ccccc21
InChIInChI=1S/C19H19N5O3/c25-19(23-13-7-14-4-1-2-5-16(14)23)22-11-8-15(9-12-22)21-18-17(24(26)27)6-3-10-20-18/h1-7,10,13,15H,8-9,11-12H2,(H,20,21)
InChIKeyKGKLFOUWAKDUPU-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.49
Rot. Bonds3

About indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone

indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone (PubChem CID 139664540) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameindol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
PubChem CID139664540
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Nameindol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESO=C(N1CCC(Nc2ncccc2[N+](=O)[O-])CC1)n1ccc2ccccc21
InChIInChI=1S/C19H19N5O3/c25-19(23-13-7-14-4-1-2-5-16(14)23)22-11-8-15(9-12-22)21-18-17(24(26)27)6-3-10-20-18/h1-7,10,13,15H,8-9,11-12H2,(H,20,21)
InChIKeyKGKLFOUWAKDUPU-UHFFFAOYSA-N
XLogP3.49
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.49
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

cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 47053881
1H-benzimidazol-2-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 86694195
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
CID 18288213
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
4-methyl-2-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136561957
1-[4-(2-nitroanilino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 155234146
N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine
CID 43599429
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
CID 133347869
N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine
CID 126821677

Frequently Asked Questions

What is the IUPAC name of indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
The IUPAC name of indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone (CID 139664540) is indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone is O=C(N1CCC(Nc2ncccc2[N+](=O)[O-])CC1)n1ccc2ccccc21.
What is the InChIKey of indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
The InChIKey is KGKLFOUWAKDUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-19(23-13-7-14-4-1-2-5-16(14)23)22-11-8-15(9-12-22)21-18-17(24(26)27)6-3-10-20-18/h1-7,10,13,15H,8-9,11-12H2,(H,20,21).
What are the key properties of indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone has a molecular weight of 365.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 139664540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).