N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine

C17H24N4 — CID 105074234

IUPACN-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine
SMILESCCN(Cc1ccccn1)c1cnccc1CNC(C)C
InChIInChI=1S/C17H24N4/c1-4-21(13-16-7-5-6-9-19-16)17-12-18-10-8-15(17)11-20-14(2)3/h5-10,12,14,20H,4,11,13H2,1-3H3
InChIKeyNKKQPLSHXLIORI-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.00
Rot. Bonds7

About N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine

N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine (PubChem CID 105074234) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine
PubChem CID105074234
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine
SMILESCCN(Cc1ccccn1)c1cnccc1CNC(C)C
InChIInChI=1S/C17H24N4/c1-4-21(13-16-7-5-6-9-19-16)17-12-18-10-8-15(17)11-20-14(2)3/h5-10,12,14,20H,4,11,13H2,1-3H3
InChIKeyNKKQPLSHXLIORI-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105072837
N,2-dimethyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 81249931
N-(cyclopropylmethyl)-4-[(propan-2-ylamino)methyl]-N-propylpyridin-3-amine
CID 105073290
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283788
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073292
N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073352
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073184
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
(1R)-1-[5-[ethyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132096

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine?
The IUPAC name of N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine (CID 105074234) is N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine is CCN(Cc1ccccn1)c1cnccc1CNC(C)C.
What is the InChIKey of N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine?
The InChIKey is NKKQPLSHXLIORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-21(13-16-7-5-6-9-19-16)17-12-18-10-8-15(17)11-20-14(2)3/h5-10,12,14,20H,4,11,13H2,1-3H3.
What are the key properties of N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine?
N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine has a molecular weight of 284.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 105074234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).