N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide

C20H24N4O3 — CID 97185514

IUPACN-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide
SMILESCCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C20H24N4O3/c1-3-12-23(16-8-9-16)20(25)15-7-10-18(19(13-15)24(26)27)22-14(2)17-6-4-5-11-21-17/h4-7,10-11,13-14,16,22H,3,8-9,12H2,1-2H3/t14-/m1/s1
InChIKeyLDNLTUXNCQHCLZ-CQSZACIVSA-N
MW368.44 g/mol
LogP4.18
Rot. Bonds8

About N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide

N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide (PubChem CID 97185514) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide
PubChem CID97185514
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide
SMILESCCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C20H24N4O3/c1-3-12-23(16-8-9-16)20(25)15-7-10-18(19(13-15)24(26)27)22-14(2)17-6-4-5-11-21-17/h4-7,10-11,13-14,16,22H,3,8-9,12H2,1-2H3/t14-/m1/s1
InChIKeyLDNLTUXNCQHCLZ-CQSZACIVSA-N
XLogP4.18
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-3-nitro-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide
CID 94459880
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-3-nitro-4-[[(1S)-1-pyridin-2-ylethyl]amino]benzamide
CID 99781849
3-nitro-N-(1-pyridin-2-ylethyl)-4-(1-pyridin-2-ylethylamino)benzamide
CID 55996168
(4-methylpiperidin-1-yl)-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone
CID 51124570
azetidin-1-yl-[3-nitro-4-[[(1R)-1-pyridin-2-ylethyl]amino]phenyl]methanone
CID 95044302
N-(2-amino-1-cyclopropylethyl)-3-nitro-4-(1-pyridin-2-ylethylamino)benzamide;dihydrochloride
CID 119613099
[4-(aminomethyl)piperidin-1-yl]-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone
CID 119422959
N-[2-(methylamino)propyl]-3-nitro-4-(1-pyridin-2-ylethylamino)benzamide;dihydrochloride
CID 120826536
[(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
azepan-1-yl-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone
CID 51124562
[2-(aminomethyl)pyrrolidin-1-yl]-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone
CID 119631171
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-nitro-4-(1-pyridin-2-ylethylamino)benzamide
CID 55996795

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide (CID 97185514) is N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide is CCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide?
The InChIKey is LDNLTUXNCQHCLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-12-23(16-8-9-16)20(25)15-7-10-18(19(13-15)24(26)27)22-14(2)17-6-4-5-11-21-17/h4-7,10-11,13-14,16,22H,3,8-9,12H2,1-2H3/t14-/m1/s1.
What are the key properties of N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide?
N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-nitro-N-propyl-4-[[(1R)-1-pyridin-2-ylethyl]amino]benzamide is sourced from PubChem (CID 97185514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).