2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine

C14H19N5O — CID 169084053

IUPAC2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine
SMILESNc1cccnc1NCc1cnn(C2CCCCO2)c1
InChIInChI=1S/C14H19N5O/c15-12-4-3-6-16-14(12)17-8-11-9-18-19(10-11)13-5-1-2-7-20-13/h3-4,6,9-10,13H,1-2,5,7-8,15H2,(H,16,17)
InChIKeyBOKWCWYZOVWNOZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds4

About 2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine

2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine (PubChem CID 169084053) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine
PubChem CID169084053
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine
SMILESNc1cccnc1NCc1cnn(C2CCCCO2)c1
InChIInChI=1S/C14H19N5O/c15-12-4-3-6-16-14(12)17-8-11-9-18-19(10-11)13-5-1-2-7-20-13/h3-4,6,9-10,13H,1-2,5,7-8,15H2,(H,16,17)
InChIKeyBOKWCWYZOVWNOZ-UHFFFAOYSA-N
XLogP2.17
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 142796783
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide
CID 113391812
ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
3-deuterio-1-(oxan-2-yl)pyrazol-4-amine
CID 175855402
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 131697629
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
CID 167978748
N-(3-amino-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113391859
2-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2,3-diamine
CID 79082098

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine (CID 169084053) is 2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine is Nc1cccnc1NCc1cnn(C2CCCCO2)c1.
What is the InChIKey of 2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine?
The InChIKey is BOKWCWYZOVWNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-12-4-3-6-16-14(12)17-8-11-9-18-19(10-11)13-5-1-2-7-20-13/h3-4,6,9-10,13H,1-2,5,7-8,15H2,(H,16,17).
What are the key properties of 2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine?
2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]pyridine-2,3-diamine is sourced from PubChem (CID 169084053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).