(2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide

C19H24N4O3 — CID 92632963

IUPAC(2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide
SMILESCOc1cccc(CCCNC(=O)[C@@H]2CN(c3ncccn3)CCO2)c1
InChIInChI=1S/C19H24N4O3/c1-25-16-7-2-5-15(13-16)6-3-8-20-18(24)17-14-23(11-12-26-17)19-21-9-4-10-22-19/h2,4-5,7,9-10,13,17H,3,6,8,11-12,14H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyINXNVWTZUHDKJL-KRWDZBQOSA-N
MW356.43 g/mol
LogP1.44
Rot. Bonds7

About (2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide

(2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide (PubChem CID 92632963) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide
PubChem CID92632963
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide
SMILESCOc1cccc(CCCNC(=O)[C@@H]2CN(c3ncccn3)CCO2)c1
InChIInChI=1S/C19H24N4O3/c1-25-16-7-2-5-15(13-16)6-3-8-20-18(24)17-14-23(11-12-26-17)19-21-9-4-10-22-19/h2,4-5,7,9-10,13,17H,3,6,8,11-12,14H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyINXNVWTZUHDKJL-KRWDZBQOSA-N
XLogP1.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide
CID 110268136
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 132651169
N-[2-(3-methoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108985441
(2R)-4-(3-methoxyphenyl)-N-methylmorpholine-2-carboxamide
CID 95841946
6-chloro-N-[3-(3-methoxyphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43885451
(3aR,4R,7R,7aS)-N-[3-(3-methoxyphenyl)propyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 99107062
(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 107846631
N-cyclobutyl-4-(3-methoxyphenyl)morpholine-2-carboxamide
CID 110254136
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119316856
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide (CID 92632963) is (2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide is COc1cccc(CCCNC(=O)[C@@H]2CN(c3ncccn3)CCO2)c1.
What is the InChIKey of (2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide?
The InChIKey is INXNVWTZUHDKJL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-25-16-7-2-5-15(13-16)6-3-8-20-18(24)17-14-23(11-12-26-17)19-21-9-4-10-22-19/h2,4-5,7,9-10,13,17H,3,6,8,11-12,14H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of (2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide?
(2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(3-methoxyphenyl)propyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide is sourced from PubChem (CID 92632963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).