2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile

C15H18N4O2 — CID 70601488

IUPAC2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile
SMILESCC(C)NC[C@@H](O)COc1nc2ccncc2cc1C#N
InChIInChI=1S/C15H18N4O2/c1-10(2)18-8-13(20)9-21-15-11(6-16)5-12-7-17-4-3-14(12)19-15/h3-5,7,10,13,18,20H,8-9H2,1-2H3/t13-/m1/s1
InChIKeyBFVNXPWCBYHMPQ-CYBMUJFWSA-N
MW286.33 g/mol
LogP1.24
Rot. Bonds6

About 2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile

2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile (PubChem CID 70601488) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile
PubChem CID70601488
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile
SMILESCC(C)NC[C@@H](O)COc1nc2ccncc2cc1C#N
InChIInChI=1S/C15H18N4O2/c1-10(2)18-8-13(20)9-21-15-11(6-16)5-12-7-17-4-3-14(12)19-15/h3-5,7,10,13,18,20H,8-9H2,1-2H3/t13-/m1/s1
InChIKeyBFVNXPWCBYHMPQ-CYBMUJFWSA-N
XLogP1.24
TPSA91.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile (CID 70601488) is 2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile is CC(C)NC[C@@H](O)COc1nc2ccncc2cc1C#N.
What is the InChIKey of 2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile?
The InChIKey is BFVNXPWCBYHMPQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(2)18-8-13(20)9-21-15-11(6-16)5-12-7-17-4-3-14(12)19-15/h3-5,7,10,13,18,20H,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile?
2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile has a molecular weight of 286.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 70601488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).