N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide

C20H22ClN5O4 — CID 55995289

IUPACN-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide
SMILESO=C(CCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H22ClN5O4/c21-15-7-8-18(22-12-15)24-20(28)14-4-3-10-25(13-14)11-9-19(27)23-16-5-1-2-6-17(16)26(29)30/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,23,27)(H,22,24,28)
InChIKeyIXWGFCPNGQCQQL-UHFFFAOYSA-N
MW431.88 g/mol
LogP3.32
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide (PubChem CID 55995289) has the molecular formula C20H22ClN5O4 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide
PubChem CID55995289
Molecular FormulaC20H22ClN5O4
Molecular Weight431.88 g/mol
Exact Mass431.14
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide
SMILESO=C(CCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H22ClN5O4/c21-15-7-8-18(22-12-15)24-20(28)14-4-3-10-25(13-14)11-9-19(27)23-16-5-1-2-6-17(16)26(29)30/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,23,27)(H,22,24,28)
InChIKeyIXWGFCPNGQCQQL-UHFFFAOYSA-N
XLogP3.32
TPSA117.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 53.32
H-Bond Donors ≤ 52
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-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 56525461
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 56525502
N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 55922961
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 95339286
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 46518147
1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133270087
N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
N-(5-chloro-2-pyridinyl)-1-[(4-sulfanylidene-1,2,3-benzotriazin-3-yl)methyl]piperidine-3-carboxamide
CID 55861104

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide (CID 55995289) is N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide is O=C(CCN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide?
The InChIKey is IXWGFCPNGQCQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O4/c21-15-7-8-18(22-12-15)24-20(28)14-4-3-10-25(13-14)11-9-19(27)23-16-5-1-2-6-17(16)26(29)30/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,23,27)(H,22,24,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide is sourced from PubChem (CID 55995289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).