4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide

C25H35ClN4O3 — CID 145130854

IUPAC4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(NC)ncc(C(=O)Nc2ccc(OCCCCCCCCCOC)cc2)c1Cl
InChIInChI=1S/C25H35ClN4O3/c1-18(27)22-23(26)21(17-29-24(22)28-2)25(31)30-19-11-13-20(14-12-19)33-16-10-8-6-4-5-7-9-15-32-3/h11-14,17,27H,4-10,15-16H2,1-3H3,(H,28,29)(H,30,31)/b27-18+
InChIKeyYWMRBQIPSGQGKO-OVVQPSECSA-N
MW475.03 g/mol
LogP6.17
Rot. Bonds15

About 4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide

4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide (PubChem CID 145130854) has the molecular formula C25H35ClN4O3 and a molecular weight of 475.03 g/mol. Its IUPAC name is 4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide
PubChem CID145130854
Molecular FormulaC25H35ClN4O3
Molecular Weight475.03 g/mol
Exact Mass474.24
IUPAC Name4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(NC)ncc(C(=O)Nc2ccc(OCCCCCCCCCOC)cc2)c1Cl
InChIInChI=1S/C25H35ClN4O3/c1-18(27)22-23(26)21(17-29-24(22)28-2)25(31)30-19-11-13-20(14-12-19)33-16-10-8-6-4-5-7-9-15-32-3/h11-14,17,27H,4-10,15-16H2,1-3H3,(H,28,29)(H,30,31)/b27-18+
InChIKeyYWMRBQIPSGQGKO-OVVQPSECSA-N
XLogP6.17
TPSA96.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.03
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 145131074
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 145131051
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide
CID 145131118
N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane
CID 145131079
2-[(4-decoxyphenyl)carbamoyl]benzoic acid
CID 51001456
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
CID 139895558
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide
CID 66483370
N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119723419
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide (CID 145130854) is 4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide is [H]/N=C(\C)c1c(NC)ncc(C(=O)Nc2ccc(OCCCCCCCCCOC)cc2)c1Cl.
What is the InChIKey of 4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is YWMRBQIPSGQGKO-OVVQPSECSA-N. The full InChI is InChI=1S/C25H35ClN4O3/c1-18(27)22-23(26)21(17-29-24(22)28-2)25(31)30-19-11-13-20(14-12-19)33-16-10-8-6-4-5-7-9-15-32-3/h11-14,17,27H,4-10,15-16H2,1-3H3,(H,28,29)(H,30,31)/b27-18+.
What are the key properties of 4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide?
4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 475.03 g/mol, XLogP of 6.17, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 145130854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).