N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide

C23H21N5O3 — CID 139347848

IUPACN-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(NC(=O)Cc3ccc4ncccc4c3)ccn2)CCOCC1
InChIInChI=1S/C23H21N5O3/c24-15-23(6-10-31-11-7-23)28-22(30)20-14-18(5-9-26-20)27-21(29)13-16-3-4-19-17(12-16)2-1-8-25-19/h1-5,8-9,12,14H,6-7,10-11,13H2,(H,28,30)(H,26,27,29)
InChIKeyDTYHGBJQHJIGJW-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.61
Rot. Bonds5

About N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide

N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide (PubChem CID 139347848) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide
PubChem CID139347848
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(NC(=O)Cc3ccc4ncccc4c3)ccn2)CCOCC1
InChIInChI=1S/C23H21N5O3/c24-15-23(6-10-31-11-7-23)28-22(30)20-14-18(5-9-26-20)27-21(29)13-16-3-4-19-17(12-16)2-1-8-25-19/h1-5,8-9,12,14H,6-7,10-11,13H2,(H,28,30)(H,26,27,29)
InChIKeyDTYHGBJQHJIGJW-UHFFFAOYSA-N
XLogP2.61
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide (CID 139347848) is N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide is N#CC1(NC(=O)c2cc(NC(=O)Cc3ccc4ncccc4c3)ccn2)CCOCC1.
What is the InChIKey of N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide?
The InChIKey is DTYHGBJQHJIGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c24-15-23(6-10-31-11-7-23)28-22(30)20-14-18(5-9-26-20)27-21(29)13-16-3-4-19-17(12-16)2-1-8-25-19/h1-5,8-9,12,14H,6-7,10-11,13H2,(H,28,30)(H,26,27,29).
What are the key properties of N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide?
N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanooxan-4-yl)-4-[(2-quinolin-6-ylacetyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 139347848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).