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

C17H23N3O — CID 81253260

IUPACN-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cnccc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C17H23N3O/c1-13(2)19-11-14-10-18-8-7-17(14)20(15-5-6-15)12-16-4-3-9-21-16/h3-4,7-10,13,15,19H,5-6,11-12H2,1-2H3
InChIKeyTYHKBUNYBUEHME-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.34
Rot. Bonds7

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

N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81253260) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81253260
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cnccc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C17H23N3O/c1-13(2)19-11-14-10-18-8-7-17(14)20(15-5-6-15)12-16-4-3-9-21-16/h3-4,7-10,13,15,19H,5-6,11-12H2,1-2H3
InChIKeyTYHKBUNYBUEHME-UHFFFAOYSA-N
XLogP3.34
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine
CID 103137838
N-(furan-2-ylmethyl)-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81249323
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81247478
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811
5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine
CID 104533818
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073614
N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine
CID 81247339

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81253260) is N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine is CC(C)NCc1cnccc1N(Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is TYHKBUNYBUEHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)19-11-14-10-18-8-7-17(14)20(15-5-6-15)12-16-4-3-9-21-16/h3-4,7-10,13,15,19H,5-6,11-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81253260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).