6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide

C27H27N5O3 — CID 162527594

IUPAC6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide
SMILESC=C(C#N)CNc1c(OC)ccc2ccc(-c3cccc(C(=O)NC4CCN(C)C(=O)C4)n3)cc12
InChIInChI=1S/C27H27N5O3/c1-17(15-28)16-29-26-21-13-19(8-7-18(21)9-10-24(26)35-3)22-5-4-6-23(31-22)27(34)30-20-11-12-32(2)25(33)14-20/h4-10,13,20,29H,1,11-12,14,16H2,2-3H3,(H,30,34)
InChIKeyCUCVIERACBGYGD-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.75
Rot. Bonds7

About 6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide

6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 162527594) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide
PubChem CID162527594
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide
SMILESC=C(C#N)CNc1c(OC)ccc2ccc(-c3cccc(C(=O)NC4CCN(C)C(=O)C4)n3)cc12
InChIInChI=1S/C27H27N5O3/c1-17(15-28)16-29-26-21-13-19(8-7-18(21)9-10-24(26)35-3)22-5-4-6-23(31-22)27(34)30-20-11-12-32(2)25(33)14-20/h4-10,13,20,29H,1,11-12,14,16H2,2-3H3,(H,30,34)
InChIKeyCUCVIERACBGYGD-UHFFFAOYSA-N
XLogP3.75
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carboxamide
CID 162527733
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-[1-(3-methoxypropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 162526715
N-[(1R,3R)-3-acetamidocyclohexyl]-6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide
CID 166914815
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 162528123
6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 162526809
N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide
CID 166914661
2-[8-(2-cyanoprop-2-enylamino)-7-propan-2-yloxynaphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
CID 162528122
4-amino-6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 162526989
2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyridine-4-carboxamide
CID 162527069
2-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-methylpyrimidine-4-carboxamide
CID 162526559
3-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[4-(3-methoxypropylamino)cyclohexyl]pyridine-2-carboxamide
CID 167350048

Frequently Asked Questions

What is the IUPAC name of 6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide (CID 162527594) is 6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide is C=C(C#N)CNc1c(OC)ccc2ccc(-c3cccc(C(=O)NC4CCN(C)C(=O)C4)n3)cc12.
What is the InChIKey of 6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is CUCVIERACBGYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-17(15-28)16-29-26-21-13-19(8-7-18(21)9-10-24(26)35-3)22-5-4-6-23(31-22)27(34)30-20-11-12-32(2)25(33)14-20/h4-10,13,20,29H,1,11-12,14,16H2,2-3H3,(H,30,34).
What are the key properties of 6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide?
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 162527594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).