3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide

C19H23N5O3 — CID 119424565

IUPAC3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide
SMILESCC(Nc1ccc(C(=O)NC2CCCNC2)cc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C19H23N5O3/c1-13(16-6-2-3-10-21-16)22-17-8-7-14(11-18(17)24(26)27)19(25)23-15-5-4-9-20-12-15/h2-3,6-8,10-11,13,15,20,22H,4-5,9,12H2,1H3,(H,23,25)
InChIKeyYGUPRFUGJHUEMU-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.64
Rot. Bonds6

About 3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide

3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide (PubChem CID 119424565) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide.

Molecular Properties

Compound Name3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide
PubChem CID119424565
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide
SMILESCC(Nc1ccc(C(=O)NC2CCCNC2)cc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C19H23N5O3/c1-13(16-6-2-3-10-21-16)22-17-8-7-14(11-18(17)24(26)27)19(25)23-15-5-4-9-20-12-15/h2-3,6-8,10-11,13,15,20,22H,4-5,9,12H2,1H3,(H,23,25)
InChIKeyYGUPRFUGJHUEMU-UHFFFAOYSA-N
XLogP2.64
TPSA109.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
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-nitro-N-(piperidin-3-ylmethyl)-4-(1-pyridin-2-ylethylamino)benzamide;dihydrochloride
CID 119460161
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-nitro-4-(1-pyridin-2-ylethylamino)benzamide;dihydrochloride
CID 119455434
3-nitro-N-(1-pyridin-2-ylethyl)-4-(1-pyridin-2-ylethylamino)benzamide
CID 55996168
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone
CID 120657898
azetidin-1-yl-[3-nitro-4-[[(1R)-1-pyridin-2-ylethyl]amino]phenyl]methanone
CID 95044302
N-ethyl-3-nitro-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide
CID 94459880
azepan-1-yl-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone
CID 51124562
(4-methylpiperidin-1-yl)-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone
CID 51124570
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-nitro-4-(1-pyridin-2-ylethylamino)benzamide
CID 75399375
N-[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-nitro-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide
CID 97256272
N-(2-amino-1-cyclopropylethyl)-3-nitro-4-(1-pyridin-2-ylethylamino)benzamide;dihydrochloride
CID 119613099
(2R)-3-methyl-2-[[3-nitro-4-(1-pyridin-2-ylethylamino)benzoyl]amino]butanoic acid
CID 119368767

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide?
The IUPAC name of 3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide (CID 119424565) is 3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide.
What is the SMILES notation for 3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide?
The canonical SMILES for 3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide is CC(Nc1ccc(C(=O)NC2CCCNC2)cc1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of 3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide?
The InChIKey is YGUPRFUGJHUEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13(16-6-2-3-10-21-16)22-17-8-7-14(11-18(17)24(26)27)19(25)23-15-5-4-9-20-12-15/h2-3,6-8,10-11,13,15,20,22H,4-5,9,12H2,1H3,(H,23,25).
What are the key properties of 3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide?
3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide has a molecular weight of 369.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-piperidin-3-yl-4-(1-pyridin-2-ylethylamino)benzamide is sourced from PubChem (CID 119424565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).