N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine

C18H15ClN4O2 — CID 133364013

IUPACN-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NC(c2cccc(Cl)c2)c2ccccn2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H15ClN4O2/c1-12-9-17(21-11-16(12)23(24)25)22-18(15-7-2-3-8-20-15)13-5-4-6-14(19)10-13/h2-11,18H,1H3,(H,21,22)
InChIKeyMSXRXMIEKOLUBC-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.55
Rot. Bonds5

About N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine

N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 133364013) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine
PubChem CID133364013
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NC(c2cccc(Cl)c2)c2ccccn2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H15ClN4O2/c1-12-9-17(21-11-16(12)23(24)25)22-18(15-7-2-3-8-20-15)13-5-4-6-14(19)10-13/h2-11,18H,1H3,(H,21,22)
InChIKeyMSXRXMIEKOLUBC-UHFFFAOYSA-N
XLogP4.55
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.55
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-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-fluoro-2-nitroaniline
CID 133364043
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-6-nitroquinolin-2-amine
CID 133364023
ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
CID 133364083
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide
CID 133364201
3-chloro-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-nitropyridin-2-amine
CID 133414774
3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide
CID 75423615
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133364190
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide
CID 133364093
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
2-(3-chlorophenyl)-1-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133473068
4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one
CID 133364168
3-bromo-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-nitropyridin-2-amine
CID 133414684

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine (CID 133364013) is N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine is Cc1cc(NC(c2cccc(Cl)c2)c2ccccn2)ncc1[N+](=O)[O-].
What is the InChIKey of N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is MSXRXMIEKOLUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-12-9-17(21-11-16(12)23(24)25)22-18(15-7-2-3-8-20-15)13-5-4-6-14(19)10-13/h2-11,18H,1H3,(H,21,22).
What are the key properties of N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine?
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 354.80 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133364013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).