N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide

C18H22N4O2 — CID 96515929

IUPACN-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cnccn1
InChIInChI=1S/C18H22N4O2/c23-18(17-13-19-6-7-20-17)21-16(12-15-4-2-1-3-5-15)14-22-8-10-24-11-9-22/h1-7,13,16H,8-12,14H2,(H,21,23)/t16-/m0/s1
InChIKeyKVMMABWCQTUEAV-INIZCTEOSA-N
MW326.40 g/mol
LogP1.15
Rot. Bonds6

About N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide

N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide (PubChem CID 96515929) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide
PubChem CID96515929
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cnccn1
InChIInChI=1S/C18H22N4O2/c23-18(17-13-19-6-7-20-17)21-16(12-15-4-2-1-3-5-15)14-22-8-10-24-11-9-22/h1-7,13,16H,8-12,14H2,(H,21,23)/t16-/m0/s1
InChIKeyKVMMABWCQTUEAV-INIZCTEOSA-N
XLogP1.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methoxy-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]propanamide
CID 95621536
3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide
CID 95621532
3-methyl-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)butanamide
CID 56787230
2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 126787696
2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 97255982
2-(cyclopropylmethylamino)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)acetamide
CID 119883220
2,2-dimethyl-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]azetidine-1-carboxamide
CID 97220199
4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride
CID 120565520
N-[1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 10181904
N-[(2S)-1-[[(E)-3-methylbut-1-enyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
CID 163197279
N-(2-morpholin-4-yl-2-oxoethyl)pyrazine-2-carboxamide
CID 110741937
N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide
CID 90534299

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide (CID 96515929) is N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide is O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cnccn1.
What is the InChIKey of N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is KVMMABWCQTUEAV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(17-13-19-6-7-20-17)21-16(12-15-4-2-1-3-5-15)14-22-8-10-24-11-9-22/h1-7,13,16H,8-12,14H2,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide?
N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 96515929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).