N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide

C21H18N4O3 — CID 162526952

IUPACN-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide
SMILESC=CC(=O)Nc1cccc2ccc(-c3cccc(C(=O)NCC(N)=O)n3)cc12
InChIInChI=1S/C21H18N4O3/c1-2-20(27)25-17-7-3-5-13-9-10-14(11-15(13)17)16-6-4-8-18(24-16)21(28)23-12-19(22)26/h2-11H,1,12H2,(H2,22,26)(H,23,28)(H,25,27)
InChIKeyDJMAIZLJNVARKB-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.24
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide

N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide (PubChem CID 162526952) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide
PubChem CID162526952
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide
SMILESC=CC(=O)Nc1cccc2ccc(-c3cccc(C(=O)NCC(N)=O)n3)cc12
InChIInChI=1S/C21H18N4O3/c1-2-20(27)25-17-7-3-5-13-9-10-14(11-15(13)17)16-6-4-8-18(24-16)21(28)23-12-19(22)26/h2-11H,1,12H2,(H2,22,26)(H,23,28)(H,25,27)
InChIKeyDJMAIZLJNVARKB-UHFFFAOYSA-N
XLogP2.24
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide (CID 162526952) is N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide is C=CC(=O)Nc1cccc2ccc(-c3cccc(C(=O)NCC(N)=O)n3)cc12.
What is the InChIKey of N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide?
The InChIKey is DJMAIZLJNVARKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-2-20(27)25-17-7-3-5-13-9-10-14(11-15(13)17)16-6-4-8-18(24-16)21(28)23-12-19(22)26/h2-11H,1,12H2,(H2,22,26)(H,23,28)(H,25,27).
What are the key properties of N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide?
N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162526952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).