N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide

C18H25N5O3 — CID 155900630

IUPACN-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCCC(CO)NC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C
InChIInChI=1S/C18H25N5O3/c1-3-15(12-24)21-17(25)16-8-13(11-22(16)2)14-9-19-18(20-10-14)23-4-6-26-7-5-23/h8-11,15,24H,3-7,12H2,1-2H3,(H,21,25)
InChIKeyOACQAOKUKBDJST-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.82
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide

N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide (PubChem CID 155900630) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
PubChem CID155900630
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCCC(CO)NC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C
InChIInChI=1S/C18H25N5O3/c1-3-15(12-24)21-17(25)16-8-13(11-22(16)2)14-9-19-18(20-10-14)23-4-6-26-7-5-23/h8-11,15,24H,3-7,12H2,1-2H3,(H,21,25)
InChIKeyOACQAOKUKBDJST-UHFFFAOYSA-N
XLogP0.82
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97361600
N-[(2,4-difluorophenyl)methyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850151
N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443096
1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155834046
N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide
CID 103511286
1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97407332
1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97407343
4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97443109
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786
2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-5-methylpyrazole-3-carboxamide
CID 103919961
N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide
CID 50847027
ethane;2-hydroxy-6-(2-morpholin-4-ylpyrimidin-5-yl)cyclohepta-2,4,6-trien-1-one
CID 156729078

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide (CID 155900630) is N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide is CCC(CO)NC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The InChIKey is OACQAOKUKBDJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-15(12-24)21-17(25)16-8-13(11-22(16)2)14-9-19-18(20-10-14)23-4-6-26-7-5-23/h8-11,15,24H,3-7,12H2,1-2H3,(H,21,25).
What are the key properties of N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 155900630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).