N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide

C16H20N4O2 — CID 122556239

IUPACN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C16H20N4O2/c1-4-5-13-12(7-17-9-20-13)16(22)19-8-14-11(3)15(21)10(2)6-18-14/h6-7,9H,4-5,8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyYAJJRDSPPNUDSP-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.66
Rot. Bonds5

About N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide

N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 122556239) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide
PubChem CID122556239
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C16H20N4O2/c1-4-5-13-12(7-17-9-20-13)16(22)19-8-14-11(3)15(21)10(2)6-18-14/h6-7,9H,4-5,8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyYAJJRDSPPNUDSP-UHFFFAOYSA-N
XLogP1.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide (CID 122556239) is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NCc1[nH]cc(C)c(=O)c1C.
What is the InChIKey of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is YAJJRDSPPNUDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-5-13-12(7-17-9-20-13)16(22)19-8-14-11(3)15(21)10(2)6-18-14/h6-7,9H,4-5,8H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 122556239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).