N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C22H22N4O — CID 50961931

IUPACN-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCCN(C/C=C/c1ccccc1)C(=O)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C22H22N4O/c1-2-13-26(14-7-10-18-8-4-3-5-9-18)22(27)20-16-24-21(25-17-20)19-11-6-12-23-15-19/h3-12,15-17H,2,13-14H2,1H3/b10-7+
InChIKeyLDFWELAOHUQSEV-JXMROGBWSA-N
MW358.45 g/mol
LogP4.10
Rot. Bonds7

About N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 50961931) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID50961931
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCCN(C/C=C/c1ccccc1)C(=O)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C22H22N4O/c1-2-13-26(14-7-10-18-8-4-3-5-9-18)22(27)20-16-24-21(25-17-20)19-11-6-12-23-15-19/h3-12,15-17H,2,13-14H2,1H3/b10-7+
InChIKeyLDFWELAOHUQSEV-JXMROGBWSA-N
XLogP4.10
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134990
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 46998527
3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 21086057
N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134622
N-butyl-N-propylpyridine-3-carboxamide
CID 71107257
N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74234499
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 134081034
N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide
CID 18735846
2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109256785
N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide
CID 171134567

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 50961931) is N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide is CCCN(C/C=C/c1ccccc1)C(=O)c1cnc(-c2cccnc2)nc1.
What is the InChIKey of N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is LDFWELAOHUQSEV-JXMROGBWSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-13-26(14-7-10-18-8-4-3-5-9-18)22(27)20-16-24-21(25-17-20)19-11-6-12-23-15-19/h3-12,15-17H,2,13-14H2,1H3/b10-7+.
What are the key properties of N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 50961931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).