[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C16H17N5O3 — CID 133367516

IUPAC[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccnc(NC2CCN(C(=O)c3ccccn3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C16H17N5O3/c1-11-5-8-18-15(14(11)21(23)24)19-12-6-9-20(10-12)16(22)13-4-2-3-7-17-13/h2-5,7-8,12H,6,9-10H2,1H3,(H,18,19)
InChIKeyGLKTWFWTPXNZNX-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.02
Rot. Bonds4

About [3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 133367516) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is [3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID133367516
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccnc(NC2CCN(C(=O)c3ccccn3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C16H17N5O3/c1-11-5-8-18-15(14(11)21(23)24)19-12-6-9-20(10-12)16(22)13-4-2-3-7-17-13/h2-5,7-8,12H,6,9-10H2,1H3,(H,18,19)
InChIKeyGLKTWFWTPXNZNX-UHFFFAOYSA-N
XLogP2.02
TPSA101.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.02
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-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
[3-(4-iodo-2-nitroanilino)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404565
4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 97237121
[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 53185554
[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97016537
5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133404555
6-nitro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
CID 133404584
[3-(methylamino)pyrrolidin-1-yl]-(3-methyl-2-nitrophenyl)methanone;hydrochloride
CID 119413694
pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
CID 133404500
[3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133367481
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 133367516) is [3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone is Cc1ccnc(NC2CCN(C(=O)c3ccccn3)C2)c1[N+](=O)[O-].
What is the InChIKey of [3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is GLKTWFWTPXNZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-11-5-8-18-15(14(11)21(23)24)19-12-6-9-20(10-12)16(22)13-4-2-3-7-17-13/h2-5,7-8,12H,6,9-10H2,1H3,(H,18,19).
What are the key properties of [3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 327.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 133367516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).