N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

C27H31N5O — CID 42596863

IUPACN,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cnccc1CN(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12
InChIInChI=1S/C27H31N5O/c1-20-9-8-15-32-24(19-30(3)18-23-12-14-28-17-21(23)2)25(29-26(20)32)27(33)31(4)16-13-22-10-6-5-7-11-22/h5-12,14-15,17H,13,16,18-19H2,1-4H3
InChIKeyRUCXKSHETCLBQE-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.29
Rot. Bonds8

About N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 42596863) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID42596863
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC NameN,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cnccc1CN(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12
InChIInChI=1S/C27H31N5O/c1-20-9-8-15-32-24(19-30(3)18-23-12-14-28-17-21(23)2)25(29-26(20)32)27(33)31(4)16-13-22-10-6-5-7-11-22/h5-12,14-15,17H,13,16,18-19H2,1-4H3
InChIKeyRUCXKSHETCLBQE-UHFFFAOYSA-N
XLogP4.29
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-hydroxyethyl(methyl)amino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56918888
N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26394218
3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95555697
3-[[(1-amino-1-oxopropan-2-yl)-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56876006
N,8-dimethyl-3-[[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95226148
N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95226147
methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
CID 25287404
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylmethanamine
CID 50950146
N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45242762
N-methyl-5-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45246149
N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide
CID 110702828
N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95553938

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 42596863) is N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide is Cc1cnccc1CN(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12.
What is the InChIKey of N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is RUCXKSHETCLBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-20-9-8-15-32-24(19-30(3)18-23-12-14-28-17-21(23)2)25(29-26(20)32)27(33)31(4)16-13-22-10-6-5-7-11-22/h5-12,14-15,17H,13,16,18-19H2,1-4H3.
What are the key properties of N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 42596863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).