4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile

C19H17N5 — CID 71618474

IUPAC4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile
SMILESC[C@@H](Nc1c(C#N)nnc2cc(-c3ccncc3)ccc12)C1CC1
InChIInChI=1S/C19H17N5/c1-12(13-2-3-13)22-19-16-5-4-15(14-6-8-21-9-7-14)10-17(16)23-24-18(19)11-20/h4-10,12-13H,2-3H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyILZHGEKQURDRJJ-GFCCVEGCSA-N
MW315.38 g/mol
LogP3.77
Rot. Bonds4

About 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile

4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile (PubChem CID 71618474) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile
PubChem CID71618474
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile
SMILESC[C@@H](Nc1c(C#N)nnc2cc(-c3ccncc3)ccc12)C1CC1
InChIInChI=1S/C19H17N5/c1-12(13-2-3-13)22-19-16-5-4-15(14-6-8-21-9-7-14)10-17(16)23-24-18(19)11-20/h4-10,12-13H,2-3H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyILZHGEKQURDRJJ-GFCCVEGCSA-N
XLogP3.77
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile (CID 71618474) is 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile is C[C@@H](Nc1c(C#N)nnc2cc(-c3ccncc3)ccc12)C1CC1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile?
The InChIKey is ILZHGEKQURDRJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N5/c1-12(13-2-3-13)22-19-16-5-4-15(14-6-8-21-9-7-14)10-17(16)23-24-18(19)11-20/h4-10,12-13H,2-3H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile?
4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile is sourced from PubChem (CID 71618474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).