N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C22H26N4O — CID 51956913

IUPACN-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C22H26N4O/c1-16-19(17(2)26(4)24-16)13-14-21(27)25(3)22(18-10-6-5-7-11-18)20-12-8-9-15-23-20/h5-12,15,22H,13-14H2,1-4H3/t22-/m1/s1
InChIKeyCBINUNKGKSQDHJ-JOCHJYFZSA-N
MW362.48 g/mol
LogP3.61
Rot. Bonds6

About N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 51956913) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID51956913
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C22H26N4O/c1-16-19(17(2)26(4)24-16)13-14-21(27)25(3)22(18-10-6-5-7-11-18)20-12-8-9-15-23-20/h5-12,15,22H,13-14H2,1-4H3/t22-/m1/s1
InChIKeyCBINUNKGKSQDHJ-JOCHJYFZSA-N
XLogP3.61
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 124888794
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119583409
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55768230
N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55768036
N-methyl-2-(2-methylindol-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55767403
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 47016242
4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55768262
N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96571971
N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55767815
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96574637
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55880579

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 51956913) is N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H](c1ccccc1)c1ccccn1.
What is the InChIKey of N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is CBINUNKGKSQDHJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-19(17(2)26(4)24-16)13-14-21(27)25(3)22(18-10-6-5-7-11-18)20-12-8-9-15-23-20/h5-12,15,22H,13-14H2,1-4H3/t22-/m1/s1.
What are the key properties of N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 362.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 51956913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).