3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C22H27N5O — CID 95197031

IUPAC3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc(CN(C)[C@H](C)c2ccccn2)c1
InChIInChI=1S/C22H27N5O/c1-15-21(17(3)27(5)25-15)24-22(28)19-10-8-9-18(13-19)14-26(4)16(2)20-11-6-7-12-23-20/h6-13,16H,14H2,1-5H3,(H,24,28)/t16-/m1/s1
InChIKeySJRMHRJSLPVMIG-MRXNPFEDSA-N
MW377.49 g/mol
LogP3.88
Rot. Bonds6

About 3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 95197031) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID95197031
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc(CN(C)[C@H](C)c2ccccn2)c1
InChIInChI=1S/C22H27N5O/c1-15-21(17(3)27(5)25-15)24-22(28)19-10-8-9-18(13-19)14-26(4)16(2)20-11-6-7-12-23-20/h6-13,16H,14H2,1-5H3,(H,24,28)/t16-/m1/s1
InChIKeySJRMHRJSLPVMIG-MRXNPFEDSA-N
XLogP3.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide
CID 95224048
methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
CID 56713563
3-[(4-chloro-2-methylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393502
3-[(3-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393406
3-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 38105280
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide
CID 95207088
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
CID 95144676
3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 169414815
1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid
CID 175015464
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 95197031) is 3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is Cc1nn(C)c(C)c1NC(=O)c1cccc(CN(C)[C@H](C)c2ccccn2)c1.
What is the InChIKey of 3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is SJRMHRJSLPVMIG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15-21(17(3)27(5)25-15)24-22(28)19-10-8-9-18(13-19)14-26(4)16(2)20-11-6-7-12-23-20/h6-13,16H,14H2,1-5H3,(H,24,28)/t16-/m1/s1.
What are the key properties of 3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 95197031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).