N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide

C23H29N5O2 — CID 11675867

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
InChIInChI=1S/C23H29N5O2/c1-30-21-9-3-2-8-20(21)27-16-14-26(15-17-27)12-7-5-11-24-23(29)19-18-28-13-6-4-10-22(28)25-19/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
InChIKeyKDYAMWXNWWOJBI-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.68
Rot. Bonds8

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 11675867) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID11675867
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
InChIInChI=1S/C23H29N5O2/c1-30-21-9-3-2-8-20(21)27-16-14-26(15-17-27)12-7-5-11-24-23(29)19-18-28-13-6-4-10-22(28)25-19/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
InChIKeyKDYAMWXNWWOJBI-UHFFFAOYSA-N
XLogP2.68
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 11675867) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KDYAMWXNWWOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-30-21-9-3-2-8-20(21)27-16-14-26(15-17-27)12-7-5-11-24-23(29)19-18-28-13-6-4-10-22(28)25-19/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 11675867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).