N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide

C21H24N4O — CID 100641585

IUPACN-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCCc1cnc(C2CC2)nc1)N1CCC=C(c2ccccc2)C1
InChIInChI=1S/C21H24N4O/c26-21(22-11-10-16-13-23-20(24-14-16)18-8-9-18)25-12-4-7-19(15-25)17-5-2-1-3-6-17/h1-3,5-7,13-14,18H,4,8-12,15H2,(H,22,26)
InChIKeyOTMFPFKVZJCPRS-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.40
Rot. Bonds5

About N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 100641585) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID100641585
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCCc1cnc(C2CC2)nc1)N1CCC=C(c2ccccc2)C1
InChIInChI=1S/C21H24N4O/c26-21(22-11-10-16-13-23-20(24-14-16)18-8-9-18)25-12-4-7-19(15-25)17-5-2-1-3-6-17/h1-3,5-7,13-14,18H,4,8-12,15H2,(H,22,26)
InChIKeyOTMFPFKVZJCPRS-UHFFFAOYSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 127665029
N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 124843428
(4aS,8aR)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 124879669
(2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide
CID 124740629
[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 154837601
N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905600
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
(2R,6R)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide
CID 126825314
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 163339671
4-phenyl-N-(2-phenylethyl)-7-thia-2,3,5,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene-10-carboxamide
CID 53080116
2-(cyclopropanecarbonylamino)-N-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90525823
3-(5-bromopyrimidin-2-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126850690

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 100641585) is N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NCCc1cnc(C2CC2)nc1)N1CCC=C(c2ccccc2)C1.
What is the InChIKey of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is OTMFPFKVZJCPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-21(22-11-10-16-13-23-20(24-14-16)18-8-9-18)25-12-4-7-19(15-25)17-5-2-1-3-6-17/h1-3,5-7,13-14,18H,4,8-12,15H2,(H,22,26).
What are the key properties of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 100641585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).