4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide

C14H17N5O — CID 47360080

IUPAC4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H17N5O/c1-2-5-16-14(20)19-8-6-18(7-9-19)13-4-3-12(10-15)11-17-13/h2-4,11H,1,5-9H2,(H,16,20)
InChIKeyFHMPFLSDKYTCJO-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.97
Rot. Bonds3

About 4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide

4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 47360080) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID47360080
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H17N5O/c1-2-5-16-14(20)19-8-6-18(7-9-19)13-4-3-12(10-15)11-17-13/h2-4,11H,1,5-9H2,(H,16,20)
InChIKeyFHMPFLSDKYTCJO-UHFFFAOYSA-N
XLogP0.97
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide
CID 47069365
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
N-butyl-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
CID 2747242
N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
CID 2746538
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
CID 142622759
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide
CID 139548010
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
6-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 134051143
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 35919863
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide (CID 47360080) is 4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is FHMPFLSDKYTCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-5-16-14(20)19-8-6-18(7-9-19)13-4-3-12(10-15)11-17-13/h2-4,11H,1,5-9H2,(H,16,20).
What are the key properties of 4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide?
4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 47360080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).