N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide

C17H23N3O2 — CID 91649396

IUPACN-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)C2=CCCCCC2)n1
InChIInChI=1S/C17H23N3O2/c1-13-7-6-10-15(19-13)20-16(21)11-12-18-17(22)14-8-4-2-3-5-9-14/h6-8,10H,2-5,9,11-12H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyHYZLPJRZRNFWBB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.73
Rot. Bonds5

About N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide

N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide (PubChem CID 91649396) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide
PubChem CID91649396
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)C2=CCCCCC2)n1
InChIInChI=1S/C17H23N3O2/c1-13-7-6-10-15(19-13)20-16(21)11-12-18-17(22)14-8-4-2-3-5-9-14/h6-8,10H,2-5,9,11-12H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyHYZLPJRZRNFWBB-UHFFFAOYSA-N
XLogP2.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide?
The IUPAC name of N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide (CID 91649396) is N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide.
What is the SMILES notation for N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide?
The canonical SMILES for N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide is Cc1cccc(NC(=O)CCNC(=O)C2=CCCCCC2)n1.
What is the InChIKey of N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide?
The InChIKey is HYZLPJRZRNFWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-7-6-10-15(19-13)20-16(21)11-12-18-17(22)14-8-4-2-3-5-9-14/h6-8,10H,2-5,9,11-12H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide?
N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide is sourced from PubChem (CID 91649396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).