N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide

C17H26N4O2 — CID 146193124

IUPACN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CCN(C(=O)C(C)N)CC2)ccn1
InChIInChI=1S/C17H26N4O2/c1-11-10-15(4-7-19-11)16(22)20-13(3)14-5-8-21(9-6-14)17(23)12(2)18/h4,7,10,12-14H,5-6,8-9,18H2,1-3H3,(H,20,22)
InChIKeyUCUXRJLIMNVRSX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.09
Rot. Bonds4

About N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide (PubChem CID 146193124) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide
PubChem CID146193124
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CCN(C(=O)C(C)N)CC2)ccn1
InChIInChI=1S/C17H26N4O2/c1-11-10-15(4-7-19-11)16(22)20-13(3)14-5-8-21(9-6-14)17(23)12(2)18/h4,7,10,12-14H,5-6,8-9,18H2,1-3H3,(H,20,22)
InChIKeyUCUXRJLIMNVRSX-UHFFFAOYSA-N
XLogP1.09
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide (CID 146193124) is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC(C)C2CCN(C(=O)C(C)N)CC2)ccn1.
What is the InChIKey of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide?
The InChIKey is UCUXRJLIMNVRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11-10-15(4-7-19-11)16(22)20-13(3)14-5-8-21(9-6-14)17(23)12(2)18/h4,7,10,12-14H,5-6,8-9,18H2,1-3H3,(H,20,22).
What are the key properties of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide?
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 146193124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).