N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide

C20H21N5O4 — CID 126688463

IUPACN-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccnc1
InChIInChI=1S/C20H21N5O4/c26-9-2-7-25-17-5-4-15(24-8-10-29-13-18(24)27)11-16(17)22-20(25)23-19(28)14-3-1-6-21-12-14/h1,3-6,11-12,26H,2,7-10,13H2,(H,22,23,28)
InChIKeyLOVCMJCTCFCNBN-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.43
Rot. Bonds6

About N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide

N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide (PubChem CID 126688463) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide
PubChem CID126688463
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC NameN-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccnc1
InChIInChI=1S/C20H21N5O4/c26-9-2-7-25-17-5-4-15(24-8-10-29-13-18(24)27)11-16(17)22-20(25)23-19(28)14-3-1-6-21-12-14/h1,3-6,11-12,26H,2,7-10,13H2,(H,22,23,28)
InChIKeyLOVCMJCTCFCNBN-UHFFFAOYSA-N
XLogP1.43
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide (CID 126688463) is N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccnc1.
What is the InChIKey of N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide?
The InChIKey is LOVCMJCTCFCNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c26-9-2-7-25-17-5-4-15(24-8-10-29-13-18(24)27)11-16(17)22-20(25)23-19(28)14-3-1-6-21-12-14/h1,3-6,11-12,26H,2,7-10,13H2,(H,22,23,28).
What are the key properties of N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide?
N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 126688463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).