3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine

C14H17F2N5 — CID 170188347

IUPAC3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine
SMILESNc1nc(C(F)F)cc2cnc(N[C@H]3CCCNC3)cc12
InChIInChI=1S/C14H17F2N5/c15-13(16)11-4-8-6-19-12(5-10(8)14(17)21-11)20-9-2-1-3-18-7-9/h4-6,9,13,18H,1-3,7H2,(H2,17,21)(H,19,20)/t9-/m0/s1
InChIKeyTZYWMTSTMJPGEG-VIFPVBQESA-N
MW293.32 g/mol
LogP2.31
Rot. Bonds3

About 3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine

3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine (PubChem CID 170188347) has the molecular formula C14H17F2N5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine.

Molecular Properties

Compound Name3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine
PubChem CID170188347
Molecular FormulaC14H17F2N5
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine
SMILESNc1nc(C(F)F)cc2cnc(N[C@H]3CCCNC3)cc12
InChIInChI=1S/C14H17F2N5/c15-13(16)11-4-8-6-19-12(5-10(8)14(17)21-11)20-9-2-1-3-18-7-9/h4-6,9,13,18H,1-3,7H2,(H2,17,21)(H,19,20)/t9-/m0/s1
InChIKeyTZYWMTSTMJPGEG-VIFPVBQESA-N
XLogP2.31
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine?
The IUPAC name of 3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine (CID 170188347) is 3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine.
What is the SMILES notation for 3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine?
The canonical SMILES for 3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine is Nc1nc(C(F)F)cc2cnc(N[C@H]3CCCNC3)cc12.
What is the InChIKey of 3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine?
The InChIKey is TZYWMTSTMJPGEG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F2N5/c15-13(16)11-4-8-6-19-12(5-10(8)14(17)21-11)20-9-2-1-3-18-7-9/h4-6,9,13,18H,1-3,7H2,(H2,17,21)(H,19,20)/t9-/m0/s1.
What are the key properties of 3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine?
3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine has a molecular weight of 293.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7-N-[(3S)-piperidin-3-yl]-2,6-naphthyridine-1,7-diamine is sourced from PubChem (CID 170188347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).