6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide

C25H25ClN4O2 — CID 162527086

IUPAC6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESC=CC(=O)Nc1c(Cl)ccc2ccc(-c3cccc(C(=O)NC4CCN(C)CC4)n3)cc12
InChIInChI=1S/C25H25ClN4O2/c1-3-23(31)29-24-19-15-17(8-7-16(19)9-10-20(24)26)21-5-4-6-22(28-21)25(32)27-18-11-13-30(2)14-12-18/h3-10,15,18H,1,11-14H2,2H3,(H,27,32)(H,29,31)
InChIKeyGKBIITWEEZCKBD-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.50
Rot. Bonds5

About 6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide

6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 162527086) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID162527086
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESC=CC(=O)Nc1c(Cl)ccc2ccc(-c3cccc(C(=O)NC4CCN(C)CC4)n3)cc12
InChIInChI=1S/C25H25ClN4O2/c1-3-23(31)29-24-19-15-17(8-7-16(19)9-10-20(24)26)21-5-4-6-22(28-21)25(32)27-18-11-13-30(2)14-12-18/h3-10,15,18H,1,11-14H2,2H3,(H,27,32)(H,29,31)
InChIKeyGKBIITWEEZCKBD-UHFFFAOYSA-N
XLogP4.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 162526997
6-[7-methoxy-8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxylic acid
CID 162527363
N-(1-methylpiperidin-4-yl)-2-[4-(prop-2-enoylamino)quinolin-6-yl]pyrimidine-4-carboxamide
CID 162526901
N-[2-ethoxy-7-(6-formyl-2-pyridinyl)naphthalen-1-yl]prop-2-enamide;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 162526930
N,1-dimethylpiperidin-4-amine;N-[7-(6-formyl-2-pyridinyl)naphthalen-1-yl]prop-2-enamide;2-(methylamino)acetaldehyde
CID 162527654
methyl 2-[[6-[7-(methoxymethyl)-8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carbonyl]amino]acetate
CID 162526800
6-(8-aminonaphthalen-2-yl)-N-cyclohexylpyridine-2-carboxamide
CID 162527396
6-ethyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 136545760
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide
CID 162527594
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[(3S)-1-methylpiperidin-3-yl]pyridine-2-carboxamide
CID 162527301
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carboxamide
CID 162527733
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142

Frequently Asked Questions

What is the IUPAC name of 6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide (CID 162527086) is 6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide is C=CC(=O)Nc1c(Cl)ccc2ccc(-c3cccc(C(=O)NC4CCN(C)CC4)n3)cc12.
What is the InChIKey of 6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is GKBIITWEEZCKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-3-23(31)29-24-19-15-17(8-7-16(19)9-10-20(24)26)21-5-4-6-22(28-21)25(32)27-18-11-13-30(2)14-12-18/h3-10,15,18H,1,11-14H2,2H3,(H,27,32)(H,29,31).
What are the key properties of 6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 448.95 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 162527086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).