2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine

C16H15Cl2N3O3 — CID 177200425

IUPAC2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine
SMILESCOc1ccc(CN(c2cc(Cl)nc(Cl)c2[N+](=O)[O-])C2CC2)cc1
InChIInChI=1S/C16H15Cl2N3O3/c1-24-12-6-2-10(3-7-12)9-20(11-4-5-11)13-8-14(17)19-16(18)15(13)21(22)23/h2-3,6-8,11H,4-5,9H2,1H3
InChIKeyOTXJJFFWGAEAJD-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.47
Rot. Bonds6

About 2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine

2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine (PubChem CID 177200425) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine
PubChem CID177200425
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine
SMILESCOc1ccc(CN(c2cc(Cl)nc(Cl)c2[N+](=O)[O-])C2CC2)cc1
InChIInChI=1S/C16H15Cl2N3O3/c1-24-12-6-2-10(3-7-12)9-20(11-4-5-11)13-8-14(17)19-16(18)15(13)21(22)23/h2-3,6-8,11H,4-5,9H2,1H3
InChIKeyOTXJJFFWGAEAJD-UHFFFAOYSA-N
XLogP4.47
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-nitrophenyl]ethanone
CID 55393971
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 55393995
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
CID 169171407
2-N,4-N-dicyclopropyl-2-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 32799882
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide
CID 9298244
ethyl N-[2-[bis[(4-methoxyphenyl)methyl]amino]-6-chloro-3-nitro-4-pyridinyl]carbamate
CID 171429787
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzenesulfonamide
CID 55566129
6-chloro-N-cyclobutyl-3-isocyano-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 59313898
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methyl-4-nitrobenzenesulfonamide
CID 37499780
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-4-nitrobenzamide
CID 9298269
N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine
CID 43065807

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine?
The IUPAC name of 2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine (CID 177200425) is 2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine?
The canonical SMILES for 2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine is COc1ccc(CN(c2cc(Cl)nc(Cl)c2[N+](=O)[O-])C2CC2)cc1.
What is the InChIKey of 2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine?
The InChIKey is OTXJJFFWGAEAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-24-12-6-2-10(3-7-12)9-20(11-4-5-11)13-8-14(17)19-16(18)15(13)21(22)23/h2-3,6-8,11H,4-5,9H2,1H3.
What are the key properties of 2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine?
2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine has a molecular weight of 368.22 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine is sourced from PubChem (CID 177200425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).