N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

C18H20N6O — CID 72936927

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C18H20N6O/c1-12-16(13(2)24-23-12)4-3-7-20-18(25)15-10-21-17(22-11-15)14-5-8-19-9-6-14/h5-6,8-11H,3-4,7H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyNVHFOIRYUNLZJH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.24
Rot. Bonds6

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 72936927) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID72936927
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C18H20N6O/c1-12-16(13(2)24-23-12)4-3-7-20-18(25)15-10-21-17(22-11-15)14-5-8-19-9-6-14/h5-6,8-11H,3-4,7H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyNVHFOIRYUNLZJH-UHFFFAOYSA-N
XLogP2.24
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77094251
3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide
CID 122568538
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72894692
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
CID 126828084
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide
CID 118791459
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide
CID 91790137
N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72852334
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide
CID 119059144
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide
CID 112529920
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 91761757
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide
CID 50958341
5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide
CID 91794027

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 72936927) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is Cc1n[nH]c(C)c1CCCNC(=O)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is NVHFOIRYUNLZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-16(13(2)24-23-12)4-3-7-20-18(25)15-10-21-17(22-11-15)14-5-8-19-9-6-14/h5-6,8-11H,3-4,7H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 72936927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).