N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide

C50H59FN12O4 — CID 169148992

IUPACN-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5ccccc5c(=O)[nH]4)C3)CC2)cn1.CNC(=O)c1ccc(N2CCC(N3CCC(c4nc5c(F)cccc5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C26H32N6O2.C24H27FN6O2/c1-2-27-26(34)23-10-9-20(16-28-23)31-14-11-19(12-15-31)32-13-5-6-18(17-32)24-29-22-8-4-3-7-21(22)25(33)30-24;1-26-24(33)20-6-5-17(13-27-20)30-11-8-16(9-12-30)31-10-7-15(14-31)22-28-21-18(23(32)29-22)3-2-4-19(21)25/h3-4,7-10,16,18-19H,2,5-6,11-15,17H2,1H3,(H,27,34)(H,29,30,33);2-6,13,15-16H,7-12,14H2,1H3,(H,26,33)(H,28,29,32)
InChIKeyRCJNRLOXJFKWGO-UHFFFAOYSA-N
MW911.10 g/mol
LogP5.19
Rot. Bonds9

About N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide

N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 169148992) has the molecular formula C50H59FN12O4 and a molecular weight of 911.10 g/mol. Its IUPAC name is N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID169148992
Molecular FormulaC50H59FN12O4
Molecular Weight911.10 g/mol
Exact Mass910.48
IUPAC NameN-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5ccccc5c(=O)[nH]4)C3)CC2)cn1.CNC(=O)c1ccc(N2CCC(N3CCC(c4nc5c(F)cccc5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C26H32N6O2.C24H27FN6O2/c1-2-27-26(34)23-10-9-20(16-28-23)31-14-11-19(12-15-31)32-13-5-6-18(17-32)24-29-22-8-4-3-7-21(22)25(33)30-24;1-26-24(33)20-6-5-17(13-27-20)30-11-8-16(9-12-30)31-10-7-15(14-31)22-28-21-18(23(32)29-22)3-2-4-19(21)25/h3-4,7-10,16,18-19H,2,5-6,11-15,17H2,1H3,(H,27,34)(H,29,30,33);2-6,13,15-16H,7-12,14H2,1H3,(H,26,33)(H,28,29,32)
InChIKeyRCJNRLOXJFKWGO-UHFFFAOYSA-N
XLogP5.19
TPSA188.44 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.10
LogP ≤ 55.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide (CID 169148992) is N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide is CCNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5ccccc5c(=O)[nH]4)C3)CC2)cn1.CNC(=O)c1ccc(N2CCC(N3CCC(c4nc5c(F)cccc5c(=O)[nH]4)C3)CC2)cn1.
What is the InChIKey of N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is RCJNRLOXJFKWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C24H27FN6O2/c1-2-27-26(34)23-10-9-20(16-28-23)31-14-11-19(12-15-31)32-13-5-6-18(17-32)24-29-22-8-4-3-7-21(22)25(33)30-24;1-26-24(33)20-6-5-17(13-27-20)30-11-8-16(9-12-30)31-10-7-15(14-31)22-28-21-18(23(32)29-22)3-2-4-19(21)25/h3-4,7-10,16,18-19H,2,5-6,11-15,17H2,1H3,(H,27,34)(H,29,30,33);2-6,13,15-16H,7-12,14H2,1H3,(H,26,33)(H,28,29,32).
What are the key properties of N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 911.10 g/mol, XLogP of 5.19, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;5-[4-[3-(8-fluoro-4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169148992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).