N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide

C12H21N3O — CID 66665544

IUPACN-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide
SMILESCCCN(C)CCNC(=O)C1C=CN=CC1
InChIInChI=1S/C12H21N3O/c1-3-9-15(2)10-8-14-12(16)11-4-6-13-7-5-11/h4,6-7,11H,3,5,8-10H2,1-2H3,(H,14,16)
InChIKeyANYVTIIBFYKFTJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.05
Rot. Bonds6

About N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide

N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide (PubChem CID 66665544) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide
PubChem CID66665544
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide
SMILESCCCN(C)CCNC(=O)C1C=CN=CC1
InChIInChI=1S/C12H21N3O/c1-3-9-15(2)10-8-14-12(16)11-4-6-13-7-5-11/h4,6-7,11H,3,5,8-10H2,1-2H3,(H,14,16)
InChIKeyANYVTIIBFYKFTJ-UHFFFAOYSA-N
XLogP1.05
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide?
The IUPAC name of N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide (CID 66665544) is N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide.
What is the SMILES notation for N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide?
The canonical SMILES for N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide is CCCN(C)CCNC(=O)C1C=CN=CC1.
What is the InChIKey of N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide?
The InChIKey is ANYVTIIBFYKFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-9-15(2)10-8-14-12(16)11-4-6-13-7-5-11/h4,6-7,11H,3,5,8-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide?
N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide is sourced from PubChem (CID 66665544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).