N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide

C18H25N5O3 — CID 97361598

IUPACN-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C
InChIInChI=1S/C18H25N5O3/c1-22-13-14(10-16(22)17(24)19-4-3-7-25-2)15-11-20-18(21-12-15)23-5-8-26-9-6-23/h10-13H,3-9H2,1-2H3,(H,19,24)
InChIKeyQDMMIZKRXVDGFF-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.09
Rot. Bonds7

About N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide

N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide (PubChem CID 97361598) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
PubChem CID97361598
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C
InChIInChI=1S/C18H25N5O3/c1-22-13-14(10-16(22)17(24)19-4-3-7-25-2)15-11-20-18(21-12-15)23-5-8-26-9-6-23/h10-13H,3-9H2,1-2H3,(H,19,24)
InChIKeyQDMMIZKRXVDGFF-UHFFFAOYSA-N
XLogP1.09
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide (CID 97361598) is N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide is COCCCNC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C.
What is the InChIKey of N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The InChIKey is QDMMIZKRXVDGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-22-13-14(10-16(22)17(24)19-4-3-7-25-2)15-11-20-18(21-12-15)23-5-8-26-9-6-23/h10-13H,3-9H2,1-2H3,(H,19,24).
What are the key properties of N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 97361598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).