N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide

C20H21ClN6O2 — CID 166647465

IUPACN-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide
SMILESCOc1c(Cl)cccc1Nc1cc(Nc2ccccn2)nc(NN(C)C=O)c1C
InChIInChI=1S/C20H21ClN6O2/c1-13-16(23-15-8-6-7-14(21)19(15)29-3)11-18(24-17-9-4-5-10-22-17)25-20(13)26-27(2)12-28/h4-12H,1-3H3,(H3,22,23,24,25,26)
InChIKeyLGRHDBGDJWCHEM-UHFFFAOYSA-N
MW412.88 g/mol
LogP4.35
Rot. Bonds8

About N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide

N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide (PubChem CID 166647465) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide.

Molecular Properties

Compound NameN-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide
PubChem CID166647465
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC NameN-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide
SMILESCOc1c(Cl)cccc1Nc1cc(Nc2ccccn2)nc(NN(C)C=O)c1C
InChIInChI=1S/C20H21ClN6O2/c1-13-16(23-15-8-6-7-14(21)19(15)29-3)11-18(24-17-9-4-5-10-22-17)25-20(13)26-27(2)12-28/h4-12H,1-3H3,(H3,22,23,24,25,26)
InChIKeyLGRHDBGDJWCHEM-UHFFFAOYSA-N
XLogP4.35
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-3-methyl-2-pyridinyl]amino]-N-methylformamide
CID 166647472
3-chloro-2-methoxy-N-phenylaniline
CID 171920172
4,6-dichloro-1-N,3-N-dipyridin-2-ylbenzene-1,3-diamine
CID 4978947
4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
CID 171626678
2-chloro-6,7-dimethoxy-N-pyridin-2-ylquinazolin-4-amine
CID 22692875
2-(3-chloro-2-methylanilino)-1-[4-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110111163
4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide
CID 171626518
N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 16731202
4-[2-methoxy-3-(2-methoxyethylcarbamoyl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
CID 123427816
N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
CID 50877911
4-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 22531105
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide?
The IUPAC name of N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide (CID 166647465) is N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide.
What is the SMILES notation for N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide?
The canonical SMILES for N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide is COc1c(Cl)cccc1Nc1cc(Nc2ccccn2)nc(NN(C)C=O)c1C.
What is the InChIKey of N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide?
The InChIKey is LGRHDBGDJWCHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-13-16(23-15-8-6-7-14(21)19(15)29-3)11-18(24-17-9-4-5-10-22-17)25-20(13)26-27(2)12-28/h4-12H,1-3H3,(H3,22,23,24,25,26).
What are the key properties of N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide?
N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide has a molecular weight of 412.88 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chloro-2-methoxyanilino)-3-methyl-6-(pyridin-2-ylamino)-2-pyridinyl]amino]-N-methylformamide is sourced from PubChem (CID 166647465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).