6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide

C28H30N6O2 — CID 162526809

IUPAC6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
SMILESC=C(C#N)CNc1c(C(N)=O)ccc2ccc(-c3cccc(C(=O)NCC4CCN(C)CC4)n3)cc12
InChIInChI=1S/C28H30N6O2/c1-18(15-29)16-31-26-22(27(30)35)9-8-20-6-7-21(14-23(20)26)24-4-3-5-25(33-24)28(36)32-17-19-10-12-34(2)13-11-19/h3-9,14,19,31H,1,10-13,16-17H2,2H3,(H2,30,35)(H,32,36)
InChIKeyZVQLIWGNMKKYKE-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.56
Rot. Bonds8

About 6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide

6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 162526809) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
PubChem CID162526809
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
SMILESC=C(C#N)CNc1c(C(N)=O)ccc2ccc(-c3cccc(C(=O)NCC4CCN(C)CC4)n3)cc12
InChIInChI=1S/C28H30N6O2/c1-18(15-29)16-31-26-22(27(30)35)9-8-20-6-7-21(14-23(20)26)24-4-3-5-25(33-24)28(36)32-17-19-10-12-34(2)13-11-19/h3-9,14,19,31H,1,10-13,16-17H2,2H3,(H2,30,35)(H,32,36)
InChIKeyZVQLIWGNMKKYKE-UHFFFAOYSA-N
XLogP3.56
TPSA124.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.56
H-Bond Donors ≤ 53
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-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide
CID 162527594
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 162526582
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 162528123
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[1-(3-methoxypropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 162526715
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-[[[7-(5-formyl-1,3-thiazol-2-yl)-2-methoxynaphthalen-1-yl]amino]methyl]prop-2-enenitrile;1-methylpiperidin-4-amine
CID 162526624
6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 162527086
6-[5-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 162526997
6-(ethylamino)-N-[(1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide
CID 62178776

Frequently Asked Questions

What is the IUPAC name of 6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide (CID 162526809) is 6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide is C=C(C#N)CNc1c(C(N)=O)ccc2ccc(-c3cccc(C(=O)NCC4CCN(C)CC4)n3)cc12.
What is the InChIKey of 6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ZVQLIWGNMKKYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-18(15-29)16-31-26-22(27(30)35)9-8-20-6-7-21(14-23(20)26)24-4-3-5-25(33-24)28(36)32-17-19-10-12-34(2)13-11-19/h3-9,14,19,31H,1,10-13,16-17H2,2H3,(H2,30,35)(H,32,36).
What are the key properties of 6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-carbamoyl-8-(2-cyanoprop-2-enylamino)naphthalen-2-yl]-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 162526809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).