N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide

C21H27ClN4O2 — CID 166983368

IUPACN-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide
SMILESCNc1cnc(Nc2ccc(Cl)cc2C)cc1N(C=O)C1CCC(OC)CC1
InChIInChI=1S/C21H27ClN4O2/c1-14-10-15(22)4-9-18(14)25-21-11-20(19(23-2)12-24-21)26(13-27)16-5-7-17(28-3)8-6-16/h4,9-13,16-17,23H,5-8H2,1-3H3,(H,24,25)
InChIKeyJWMCSGHRKZXHDL-UHFFFAOYSA-N
MW402.93 g/mol
LogP4.75
Rot. Bonds7

About N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide

N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide (PubChem CID 166983368) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide
PubChem CID166983368
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC NameN-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide
SMILESCNc1cnc(Nc2ccc(Cl)cc2C)cc1N(C=O)C1CCC(OC)CC1
InChIInChI=1S/C21H27ClN4O2/c1-14-10-15(22)4-9-18(14)25-21-11-20(19(23-2)12-24-21)26(13-27)16-5-7-17(28-3)8-6-16/h4,9-13,16-17,23H,5-8H2,1-3H3,(H,24,25)
InChIKeyJWMCSGHRKZXHDL-UHFFFAOYSA-N
XLogP4.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide
CID 166983480
N-cyclopentyl-N-[5-(methylamino)-2-(4-methylanilino)-4-pyridinyl]formamide
CID 163220141
N-(4-chloro-2-methylphenyl)pyrazin-2-amine
CID 118286926
6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570575
6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869075
6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267817
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 114256694
5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine
CID 82296151
N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856447
N-[2-chloro-5-(methylamino)pyrimidin-4-yl]-N-(thian-4-yl)formamide
CID 166810701
4-N-(4-chloro-2-methylphenyl)-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 112896206

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide?
The IUPAC name of N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide (CID 166983368) is N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide.
What is the SMILES notation for N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide?
The canonical SMILES for N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide is CNc1cnc(Nc2ccc(Cl)cc2C)cc1N(C=O)C1CCC(OC)CC1.
What is the InChIKey of N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide?
The InChIKey is JWMCSGHRKZXHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O2/c1-14-10-15(22)4-9-18(14)25-21-11-20(19(23-2)12-24-21)26(13-27)16-5-7-17(28-3)8-6-16/h4,9-13,16-17,23H,5-8H2,1-3H3,(H,24,25).
What are the key properties of N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide?
N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide has a molecular weight of 402.93 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylanilino)-5-(methylamino)-4-pyridinyl]-N-(4-methoxycyclohexyl)formamide is sourced from PubChem (CID 166983368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).