N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

C22H24N4O — CID 72910487

IUPACN-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccc(C(C)C)cc1)C(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C22H24N4O/c1-4-26(15-17-5-7-18(8-6-17)16(2)3)22(27)20-13-24-21(25-14-20)19-9-11-23-12-10-19/h5-14,16H,4,15H2,1-3H3
InChIKeyMAYDAWYCABLUEH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.32
Rot. Bonds6

About N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 72910487) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID72910487
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccc(C(C)C)cc1)C(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C22H24N4O/c1-4-26(15-17-5-7-18(8-6-17)16(2)3)22(27)20-13-24-21(25-14-20)19-9-11-23-12-10-19/h5-14,16H,4,15H2,1-3H3
InChIKeyMAYDAWYCABLUEH-UHFFFAOYSA-N
XLogP4.32
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180545
4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide
CID 59611643
5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180547
N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952867
N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256485
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 77089637
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749
4-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81227477
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 72910487) is N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is CCN(Cc1ccc(C(C)C)cc1)C(=O)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is MAYDAWYCABLUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(15-17-5-7-18(8-6-17)16(2)3)22(27)20-13-24-21(25-14-20)19-9-11-23-12-10-19/h5-14,16H,4,15H2,1-3H3.
What are the key properties of N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 72910487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).