2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide

C14H22N4O — CID 80629554

IUPAC2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C14H22N4O/c1-3-15-14(19)10-18(2)13-7-4-11(9-17-13)8-16-12-5-6-12/h4,7,9,12,16H,3,5-6,8,10H2,1-2H3,(H,15,19)
InChIKeyMRPMKNQFVBAZCZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.91
Rot. Bonds7

About 2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide

2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide (PubChem CID 80629554) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide
PubChem CID80629554
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C14H22N4O/c1-3-15-14(19)10-18(2)13-7-4-11(9-17-13)8-16-12-5-6-12/h4,7,9,12,16H,3,5-6,8,10H2,1-2H3,(H,15,19)
InChIKeyMRPMKNQFVBAZCZ-UHFFFAOYSA-N
XLogP0.91
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630604
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62280084
3-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 106916818
N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62287672
2-[(2-amino-2-oxoethyl)-[5-[(cyclopropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80635727
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112662259
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 62278694
5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008122
2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid
CID 122042424
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63940452
5-[(cyclopropylamino)methyl]-N-methyl-N-phenylpyridin-2-amine
CID 62285256
N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630091

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide (CID 80629554) is 2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1ccc(CNC2CC2)cn1.
What is the InChIKey of 2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide?
The InChIKey is MRPMKNQFVBAZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-15-14(19)10-18(2)13-7-4-11(9-17-13)8-16-12-5-6-12/h4,7,9,12,16H,3,5-6,8,10H2,1-2H3,(H,15,19).
What are the key properties of 2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide?
2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide has a molecular weight of 262.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide is sourced from PubChem (CID 80629554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).