(2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide

C18H22N6O — CID 99992614

IUPAC(2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide
SMILESCCC[C@@H](Nc1ncnc2ccccc12)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C18H22N6O/c1-3-6-16(18(25)19-9-13-10-22-24(2)11-13)23-17-14-7-4-5-8-15(14)20-12-21-17/h4-5,7-8,10-12,16H,3,6,9H2,1-2H3,(H,19,25)(H,20,21,23)/t16-/m1/s1
InChIKeyWRYZALJPJCKAEJ-MRXNPFEDSA-N
MW338.42 g/mol
LogP2.26
Rot. Bonds7

About (2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide

(2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide (PubChem CID 99992614) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide.

Molecular Properties

Compound Name(2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide
PubChem CID99992614
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide
SMILESCCC[C@@H](Nc1ncnc2ccccc12)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C18H22N6O/c1-3-6-16(18(25)19-9-13-10-22-24(2)11-13)23-17-14-7-4-5-8-15(14)20-12-21-17/h4-5,7-8,10-12,16H,3,6,9H2,1-2H3,(H,19,25)(H,20,21,23)/t16-/m1/s1
InChIKeyWRYZALJPJCKAEJ-MRXNPFEDSA-N
XLogP2.26
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide with MolForge

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Related Compounds

1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-(quinazolin-4-ylamino)pentan-1-one
CID 50953880
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 61348902
[4-methyl-1-[(1-methylpyrazol-4-yl)methylamino]-1-oxopentan-2-yl]carbamic acid
CID 170170313
3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
CID 2789318
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
3-phenyl-2-(quinazolin-4-ylamino)propanoate
CID 3679551
4-methoxy-2-(quinazolin-4-ylamino)butanoic acid
CID 55075952
3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
CID 103029571
(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 104903310
3-amino-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895759
ethyl 2-[(1-methylpyrazol-4-yl)methylamino]butanoate
CID 64668955
2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide
CID 119291880

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide?
The IUPAC name of (2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide (CID 99992614) is (2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide.
What is the SMILES notation for (2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide?
The canonical SMILES for (2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide is CCC[C@@H](Nc1ncnc2ccccc12)C(=O)NCc1cnn(C)c1.
What is the InChIKey of (2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide?
The InChIKey is WRYZALJPJCKAEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N6O/c1-3-6-16(18(25)19-9-13-10-22-24(2)11-13)23-17-14-7-4-5-8-15(14)20-12-21-17/h4-5,7-8,10-12,16H,3,6,9H2,1-2H3,(H,19,25)(H,20,21,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide?
(2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide has a molecular weight of 338.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(quinazolin-4-ylamino)pentanamide is sourced from PubChem (CID 99992614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).