N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide

C19H22N6O — CID 97123551

IUPACN-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)CCCc1cn[nH]c1
InChIInChI=1S/C19H22N6O/c1-13(24-18(26)5-3-4-15-10-22-23-11-15)17-12-21-19(25-14(17)2)16-6-8-20-9-7-16/h6-13H,3-5H2,1-2H3,(H,22,23)(H,24,26)/t13-/m1/s1
InChIKeyPGPMVMBZIBPWSK-CYBMUJFWSA-N
MW350.43 g/mol
LogP2.77
Rot. Bonds7

About N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide

N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 97123551) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID97123551
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)CCCc1cn[nH]c1
InChIInChI=1S/C19H22N6O/c1-13(24-18(26)5-3-4-15-10-22-23-11-15)17-12-21-19(25-14(17)2)16-6-8-20-9-7-16/h6-13H,3-5H2,1-2H3,(H,22,23)(H,24,26)/t13-/m1/s1
InChIKeyPGPMVMBZIBPWSK-CYBMUJFWSA-N
XLogP2.77
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide with MolForge

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Related Compounds

methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate
CID 42195430
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 26398298
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 26322382
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 45229538
2-(2-hydroxyphenoxy)-N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]acetamide
CID 97117814
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
CID 122560537
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 97146516
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 97146517
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 97144929
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771736
1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide
CID 72933838
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide (CID 97123551) is N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide is Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)CCCc1cn[nH]c1.
What is the InChIKey of N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is PGPMVMBZIBPWSK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(24-18(26)5-3-4-15-10-22-23-11-15)17-12-21-19(25-14(17)2)16-6-8-20-9-7-16/h6-13H,3-5H2,1-2H3,(H,22,23)(H,24,26)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 350.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 97123551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).