1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H31N5O2 — CID 109072382

IUPAC1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)Nc2ccc(N(CC)CC)cc2)c2n1CCCC2
InChIInChI=1S/C22H31N5O2/c1-4-14-23-22(29)20-25-19(18-9-7-8-15-27(18)20)21(28)24-16-10-12-17(13-11-16)26(5-2)6-3/h10-13H,4-9,14-15H2,1-3H3,(H,23,29)(H,24,28)
InChIKeyBKTXUDZOSHRHDS-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.46
Rot. Bonds8

About 1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072382) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072382
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)Nc2ccc(N(CC)CC)cc2)c2n1CCCC2
InChIInChI=1S/C22H31N5O2/c1-4-14-23-22(29)20-25-19(18-9-7-8-15-27(18)20)21(28)24-16-10-12-17(13-11-16)26(5-2)6-3/h10-13H,4-9,14-15H2,1-3H3,(H,23,29)(H,24,28)
InChIKeyBKTXUDZOSHRHDS-UHFFFAOYSA-N
XLogP3.46
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109072382) is 1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCNC(=O)c1nc(C(=O)Nc2ccc(N(CC)CC)cc2)c2n1CCCC2.
What is the InChIKey of 1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is BKTXUDZOSHRHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-4-14-23-22(29)20-25-19(18-9-7-8-15-27(18)20)21(28)24-16-10-12-17(13-11-16)26(5-2)6-3/h10-13H,4-9,14-15H2,1-3H3,(H,23,29)(H,24,28).
What are the key properties of 1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).