N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H22N6O — CID 75479273

IUPACN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cccnc1-n1ccnc1C
InChIInChI=1S/C18H22N6O/c1-12-15(13(2)23(4)22-12)7-8-17(25)21-16-6-5-9-20-18(16)24-11-10-19-14(24)3/h5-6,9-11H,7-8H2,1-4H3,(H,21,25)
InChIKeyIBBHUKQJZVZAKW-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 75479273) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID75479273
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cccnc1-n1ccnc1C
InChIInChI=1S/C18H22N6O/c1-12-15(13(2)23(4)22-12)7-8-17(25)21-16-6-5-9-20-18(16)24-11-10-19-14(24)3/h5-6,9-11H,7-8H2,1-4H3,(H,21,25)
InChIKeyIBBHUKQJZVZAKW-UHFFFAOYSA-N
XLogP2.50
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331
5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79199243
4-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79203902
2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 54861926
4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119847732
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 47254863
4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 51093015
3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 54861937
2-(cyclopropylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60927836
2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 79474016
3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 81070893
1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206679

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 75479273) is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1cccnc1-n1ccnc1C.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is IBBHUKQJZVZAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-15(13(2)23(4)22-12)7-8-17(25)21-16-6-5-9-20-18(16)24-11-10-19-14(24)3/h5-6,9-11H,7-8H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 338.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 75479273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).