N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

C23H27N5O3 — CID 70158154

IUPACN-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESCCN(CC)CCOc1ccncc1NC(=O)C1=C(O)CCc2c1nc1ccccn21
InChIInChI=1S/C23H27N5O3/c1-3-27(4-2)13-14-31-19-10-11-24-15-16(19)25-23(30)21-18(29)9-8-17-22(21)26-20-7-5-6-12-28(17)20/h5-7,10-12,15,29H,3-4,8-9,13-14H2,1-2H3,(H,25,30)
InChIKeyQWPHCNXCNUPWDT-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.30
Rot. Bonds8

About N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (PubChem CID 70158154) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
PubChem CID70158154
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESCCN(CC)CCOc1ccncc1NC(=O)C1=C(O)CCc2c1nc1ccccn21
InChIInChI=1S/C23H27N5O3/c1-3-27(4-2)13-14-31-19-10-11-24-15-16(19)25-23(30)21-18(29)9-8-17-22(21)26-20-7-5-6-12-28(17)20/h5-7,10-12,15,29H,3-4,8-9,13-14H2,1-2H3,(H,25,30)
InChIKeyQWPHCNXCNUPWDT-UHFFFAOYSA-N
XLogP3.30
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (CID 70158154) is N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is CCN(CC)CCOc1ccncc1NC(=O)C1=C(O)CCc2c1nc1ccccn21.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The InChIKey is QWPHCNXCNUPWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-3-27(4-2)13-14-31-19-10-11-24-15-16(19)25-23(30)21-18(29)9-8-17-22(21)26-20-7-5-6-12-28(17)20/h5-7,10-12,15,29H,3-4,8-9,13-14H2,1-2H3,(H,25,30).
What are the key properties of N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is sourced from PubChem (CID 70158154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).