N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

C22H28N4O2 — CID 42528435

IUPACN-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1nc2ccccn2c1CNCc1ccc(OC)cc1
InChIInChI=1S/C22H28N4O2/c1-4-5-13-25(2)22(27)21-19(26-14-7-6-8-20(26)24-21)16-23-15-17-9-11-18(28-3)12-10-17/h6-12,14,23H,4-5,13,15-16H2,1-3H3
InChIKeyDVKFTWUNFKHNDP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.50
Rot. Bonds9

About N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 42528435) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID42528435
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1nc2ccccn2c1CNCc1ccc(OC)cc1
InChIInChI=1S/C22H28N4O2/c1-4-5-13-25(2)22(27)21-19(26-14-7-6-8-20(26)24-21)16-23-15-17-9-11-18(28-3)12-10-17/h6-12,14,23H,4-5,13,15-16H2,1-3H3
InChIKeyDVKFTWUNFKHNDP-UHFFFAOYSA-N
XLogP3.50
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-3-[[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethylamino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 45212000
N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42096663
N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 25286754
1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070541
1-N-butyl-3-N-[(4-chlorophenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070531
3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121631
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-[(4-methoxyphenyl)methyl]urea
CID 71802043
1-N,3-N-dibutyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067304
N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 20956384
3-(ethylaminomethyl)-N,N-dipropylimidazo[1,2-a]pyridin-2-amine
CID 43478234
1-N-benzyl-3-N-butyl-1-N,3-N-dimethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070445
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051635

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 42528435) is N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is CCCCN(C)C(=O)c1nc2ccccn2c1CNCc1ccc(OC)cc1.
What is the InChIKey of N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DVKFTWUNFKHNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-5-13-25(2)22(27)21-19(26-14-7-6-8-20(26)24-21)16-23-15-17-9-11-18(28-3)12-10-17/h6-12,14,23H,4-5,13,15-16H2,1-3H3.
What are the key properties of N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 42528435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).