(4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H19FN4O3 — CID 95197710

IUPAC(4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCOc2ccc(F)cc2)[C@H](c2cccnc2)NC(=O)N1
InChIInChI=1S/C19H19FN4O3/c1-12-16(17(24-19(26)23-12)13-3-2-8-21-11-13)18(25)22-9-10-27-15-6-4-14(20)5-7-15/h2-8,11,17H,9-10H2,1H3,(H,22,25)(H2,23,24,26)/t17-/m0/s1
InChIKeyHQIWQMRPVVJHLF-KRWDZBQOSA-N
MW370.38 g/mol
LogP2.04
Rot. Bonds6

About (4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95197710) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is (4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95197710
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name(4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCOc2ccc(F)cc2)[C@H](c2cccnc2)NC(=O)N1
InChIInChI=1S/C19H19FN4O3/c1-12-16(17(24-19(26)23-12)13-3-2-8-21-11-13)18(25)22-9-10-27-15-6-4-14(20)5-7-15/h2-8,11,17H,9-10H2,1H3,(H,22,25)(H2,23,24,26)/t17-/m0/s1
InChIKeyHQIWQMRPVVJHLF-KRWDZBQOSA-N
XLogP2.04
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95212969
6-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56702277
2-phenoxyethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7453476
(4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95206109
4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2945156
(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7858309
4-(3-hydroxyphenyl)-6-methyl-2-oxo-N-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23960769
(4S)-N,4-bis(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 962637
N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
CID 110481998
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
2-methoxyethyl 4-[4-[4-[4-[5-(2-methoxyethoxycarbonyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]butoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 21235523
3-methyl-N-[2-[4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenoxy]ethyl]thiophene-2-carboxamide
CID 45223456

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95197710) is (4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCCOc2ccc(F)cc2)[C@H](c2cccnc2)NC(=O)N1.
What is the InChIKey of (4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is HQIWQMRPVVJHLF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-12-16(17(24-19(26)23-12)13-3-2-8-21-11-13)18(25)22-9-10-27-15-6-4-14(20)5-7-15/h2-8,11,17H,9-10H2,1H3,(H,22,25)(H2,23,24,26)/t17-/m0/s1.
What are the key properties of (4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95197710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).