N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide

C27H30FN5O2 — CID 170781580

IUPACN-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide
SMILESCCc1nc2ccc(CN3CC=C(c4ccc(C(=O)NCC5CC5)nc4C)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C27H30FN5O2/c1-3-21-27(35)32-25-22(31-21)8-6-19(24(25)28)15-33-12-10-18(11-13-33)20-7-9-23(30-16(20)2)26(34)29-14-17-4-5-17/h6-10,17H,3-5,11-15H2,1-2H3,(H,29,34)(H,32,35)
InChIKeyXBEROUZMEWDZSF-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.76
Rot. Bonds7

About N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide

N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide (PubChem CID 170781580) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide
PubChem CID170781580
Molecular FormulaC27H30FN5O2
Molecular Weight475.57 g/mol
Exact Mass475.24
IUPAC NameN-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide
SMILESCCc1nc2ccc(CN3CC=C(c4ccc(C(=O)NCC5CC5)nc4C)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C27H30FN5O2/c1-3-21-27(35)32-25-22(31-21)8-6-19(24(25)28)15-33-12-10-18(11-13-33)20-7-9-23(30-16(20)2)26(34)29-14-17-4-5-17/h6-10,17H,3-5,11-15H2,1-2H3,(H,29,34)(H,32,35)
InChIKeyXBEROUZMEWDZSF-UHFFFAOYSA-N
XLogP3.76
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide (CID 170781580) is N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide is CCc1nc2ccc(CN3CC=C(c4ccc(C(=O)NCC5CC5)nc4C)CC3)c(F)c2[nH]c1=O.
What is the InChIKey of N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is XBEROUZMEWDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2/c1-3-21-27(35)32-25-22(31-21)8-6-19(24(25)28)15-33-12-10-18(11-13-33)20-7-9-23(30-16(20)2)26(34)29-14-17-4-5-17/h6-10,17H,3-5,11-15H2,1-2H3,(H,29,34)(H,32,35).
What are the key properties of N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide?
N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[1-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 170781580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).