N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

C14H22N4O3 — CID 164638992

IUPACN-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESO=C(N[C@H](CO)CN1CCOCC1)c1cn2c(n1)CCC2
InChIInChI=1S/C14H22N4O3/c19-10-11(8-17-4-6-21-7-5-17)15-14(20)12-9-18-3-1-2-13(18)16-12/h9,11,19H,1-8,10H2,(H,15,20)/t11-/m0/s1
InChIKeyONKOTABRNFOZHF-NSHDSACASA-N
MW294.35 g/mol
LogP-0.75
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (PubChem CID 164638992) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
PubChem CID164638992
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESO=C(N[C@H](CO)CN1CCOCC1)c1cn2c(n1)CCC2
InChIInChI=1S/C14H22N4O3/c19-10-11(8-17-4-6-21-7-5-17)15-14(20)12-9-18-3-1-2-13(18)16-12/h9,11,19H,1-8,10H2,(H,15,20)/t11-/m0/s1
InChIKeyONKOTABRNFOZHF-NSHDSACASA-N
XLogP-0.75
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138001801
ethane;N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 145225752
N-(1-hydroxy-3-piperidin-1-ylpropan-2-yl)-4-methyl-1H-pyrrole-3-carboxamide
CID 126816484
N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 53201122
1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea
CID 126841019
N-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838020
N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide
CID 96515929
6-[3,5-bis(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 42878657
6-methyl-N-(1-morpholin-4-ylbutan-2-yl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide
CID 167832086
N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138048609
N-[1-(2-methylpyrazol-3-yl)propyl]-7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 157014241
6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 103879470

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (CID 164638992) is N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is O=C(N[C@H](CO)CN1CCOCC1)c1cn2c(n1)CCC2.
What is the InChIKey of N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The InChIKey is ONKOTABRNFOZHF-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3/c19-10-11(8-17-4-6-21-7-5-17)15-14(20)12-9-18-3-1-2-13(18)16-12/h9,11,19H,1-8,10H2,(H,15,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is sourced from PubChem (CID 164638992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).