4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide

C20H23N5O2 — CID 78324718

IUPAC4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(OC)cc1
InChIInChI=1S/C20H23N5O2/c1-3-25(17-6-8-18(27-2)9-7-17)20(26)24-13-11-23(12-14-24)19-16(15-21)5-4-10-22-19/h4-10H,3,11-14H2,1-2H3
InChIKeyXQXASUHDWLYHJT-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.73
Rot. Bonds4

About 4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 78324718) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID78324718
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(OC)cc1
InChIInChI=1S/C20H23N5O2/c1-3-25(17-6-8-18(27-2)9-7-17)20(26)24-13-11-23(12-14-24)19-16(15-21)5-4-10-22-19/h4-10H,3,11-14H2,1-2H3
InChIKeyXQXASUHDWLYHJT-UHFFFAOYSA-N
XLogP2.73
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110397273
2-[4-[4-(diethylamino)benzoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 86850953
2-[4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55494206
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide
CID 56545856
(2S)-2-[[4-(3-cyano-2-pyridinyl)piperazin-1-yl]methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid
CID 95390672
2-[4-[2-(4-butyl-N-methylanilino)acetyl]piperazin-1-yl]pyridine-3-carbonitrile;ethane
CID 145475582
2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridine-3-carbonitrile
CID 72911571
2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55456082
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 134031871

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 78324718) is 4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide is CCN(C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(OC)cc1.
What is the InChIKey of 4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is XQXASUHDWLYHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-25(17-6-8-18(27-2)9-7-17)20(26)24-13-11-23(12-14-24)19-16(15-21)5-4-10-22-19/h4-10H,3,11-14H2,1-2H3.
What are the key properties of 4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-pyridinyl)-N-ethyl-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 78324718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).