[5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone

C19H14ClN5O3 — CID 133304348

IUPAC[5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc21
InChIInChI=1S/C19H14ClN5O3/c20-16-9-15(25(27)28)11-22-18(16)23-14-3-4-17-12(8-14)5-7-24(17)19(26)13-2-1-6-21-10-13/h1-4,6,8-11H,5,7H2,(H,22,23)
InChIKeyBWVHCVAACCKZJI-UHFFFAOYSA-N
MW395.81 g/mol
LogP3.98
Rot. Bonds4

About [5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone

[5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone (PubChem CID 133304348) has the molecular formula C19H14ClN5O3 and a molecular weight of 395.81 g/mol. Its IUPAC name is [5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone
PubChem CID133304348
Molecular FormulaC19H14ClN5O3
Molecular Weight395.81 g/mol
Exact Mass395.08
IUPAC Name[5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc21
InChIInChI=1S/C19H14ClN5O3/c20-16-9-15(25(27)28)11-22-18(16)23-14-3-4-17-12(8-14)5-7-24(17)19(26)13-2-1-6-21-10-13/h1-4,6,8-11H,5,7H2,(H,22,23)
InChIKeyBWVHCVAACCKZJI-UHFFFAOYSA-N
XLogP3.98
TPSA101.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 53.98
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

3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one
CID 125431268
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
cis-(1R,3S)-2,2-dimethyl-3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391406
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120636790
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303864
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 52905682
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]pyridine-4-carboxamide
CID 112506253

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone (CID 133304348) is [5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCc2cc(Nc3ncc([N+](=O)[O-])cc3Cl)ccc21.
What is the InChIKey of [5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone?
The InChIKey is BWVHCVAACCKZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O3/c20-16-9-15(25(27)28)11-22-18(16)23-14-3-4-17-12(8-14)5-7-24(17)19(26)13-2-1-6-21-10-13/h1-4,6,8-11H,5,7H2,(H,22,23).
What are the key properties of [5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone?
[5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone has a molecular weight of 395.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dihydroindol-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 133304348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).