(2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine

C16H17N5 — CID 56643505

IUPAC(2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine
SMILESC[C@H](N)CNc1nc(-c2ccncc2)cc2cnccc12
InChIInChI=1S/C16H17N5/c1-11(17)9-20-16-14-4-7-19-10-13(14)8-15(21-16)12-2-5-18-6-3-12/h2-8,10-11H,9,17H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyYUJAAMQBNNAQRP-NSHDSACASA-N
MW279.35 g/mol
LogP2.45
Rot. Bonds4

About (2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine

(2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine (PubChem CID 56643505) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is (2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine
PubChem CID56643505
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name(2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine
SMILESC[C@H](N)CNc1nc(-c2ccncc2)cc2cnccc12
InChIInChI=1S/C16H17N5/c1-11(17)9-20-16-14-4-7-19-10-13(14)8-15(21-16)12-2-5-18-6-3-12/h2-8,10-11H,9,17H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyYUJAAMQBNNAQRP-NSHDSACASA-N
XLogP2.45
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine?
The IUPAC name of (2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine (CID 56643505) is (2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine is C[C@H](N)CNc1nc(-c2ccncc2)cc2cnccc12.
What is the InChIKey of (2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine?
The InChIKey is YUJAAMQBNNAQRP-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5/c1-11(17)9-20-16-14-4-7-19-10-13(14)8-15(21-16)12-2-5-18-6-3-12/h2-8,10-11H,9,17H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine?
(2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine has a molecular weight of 279.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)propane-1,2-diamine is sourced from PubChem (CID 56643505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).