4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide

C19H21Cl2N5O — CID 145131051

IUPAC4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(NC2CCNCC2)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C19H21Cl2N5O/c1-11(22)16-17(21)15(19(27)26-13-4-2-12(20)3-5-13)10-24-18(16)25-14-6-8-23-9-7-14/h2-5,10,14,22-23H,6-9H2,1H3,(H,24,25)(H,26,27)/b22-11+
InChIKeyGHCNIXKBQUGQPX-SSDVNMTOSA-N
MW406.32 g/mol
LogP4.19
Rot. Bonds5

About 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide

4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide (PubChem CID 145131051) has the molecular formula C19H21Cl2N5O and a molecular weight of 406.32 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide
PubChem CID145131051
Molecular FormulaC19H21Cl2N5O
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(NC2CCNCC2)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C19H21Cl2N5O/c1-11(22)16-17(21)15(19(27)26-13-4-2-12(20)3-5-13)10-24-18(16)25-14-6-8-23-9-7-14/h2-5,10,14,22-23H,6-9H2,1H3,(H,24,25)(H,26,27)/b22-11+
InChIKeyGHCNIXKBQUGQPX-SSDVNMTOSA-N
XLogP4.19
TPSA89.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane
CID 145131079
4-chloro-5-ethanimidoyl-6-[(1-propan-2-ylpiperidin-4-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 145131064
4-chloro-N-(4-chlorophenyl)-5-methanimidoyl-6-(thian-4-ylamino)pyridine-3-carboxamide
CID 145131031
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 145130837
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide
CID 145131118
4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 145130854
6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 145131074
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
5-carbonofluorimidoyl-4-chloro-6-(oxan-4-ylamino)pyridine-3-carboxylic acid
CID 145130860
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
1-[4-(azepan-4-ylamino)phenyl]-3-methylurea
CID 103981461
5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide
CID 143163414

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide (CID 145131051) is 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide is [H]/N=C(\C)c1c(NC2CCNCC2)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide?
The InChIKey is GHCNIXKBQUGQPX-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H21Cl2N5O/c1-11(22)16-17(21)15(19(27)26-13-4-2-12(20)3-5-13)10-24-18(16)25-14-6-8-23-9-7-14/h2-5,10,14,22-23H,6-9H2,1H3,(H,24,25)(H,26,27)/b22-11+.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide?
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide has a molecular weight of 406.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 145131051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).