N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C16H17N7O2 — CID 137150738

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2nc(N)cc(=O)[nH]2)cnn1-c1ccccn1
InChIInChI=1S/C16H17N7O2/c1-10-11(9-20-23(10)14-4-2-3-6-18-14)16(25)19-7-5-13-21-12(17)8-15(24)22-13/h2-4,6,8-9H,5,7H2,1H3,(H,19,25)(H3,17,21,22,24)
InChIKeyKCPVZGMBSQNCSE-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.21
Rot. Bonds5

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 137150738) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID137150738
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2nc(N)cc(=O)[nH]2)cnn1-c1ccccn1
InChIInChI=1S/C16H17N7O2/c1-10-11(9-20-23(10)14-4-2-3-6-18-14)16(25)19-7-5-13-21-12(17)8-15(24)22-13/h2-4,6,8-9H,5,7H2,1H3,(H,19,25)(H3,17,21,22,24)
InChIKeyKCPVZGMBSQNCSE-UHFFFAOYSA-N
XLogP0.21
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 136834839
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
CID 108793421
5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 108729406
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111484404
3-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108745436
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111662368

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 137150738) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NCCc2nc(N)cc(=O)[nH]2)cnn1-c1ccccn1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is KCPVZGMBSQNCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-10-11(9-20-23(10)14-4-2-3-6-18-14)16(25)19-7-5-13-21-12(17)8-15(24)22-13/h2-4,6,8-9H,5,7H2,1H3,(H,19,25)(H3,17,21,22,24).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137150738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).