4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide

C22H19N5O — CID 71061229

IUPAC4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccncc3)ccc12)c1ccccc1
InChIInChI=1S/C22H19N5O/c1-14(15-5-3-2-4-6-15)25-20-18-8-7-17(16-9-11-24-12-10-16)13-19(18)26-27-21(20)22(23)28/h2-14H,1H3,(H2,23,28)(H,25,26)/t14-/m1/s1
InChIKeyBRZITVABYYVSBJ-CQSZACIVSA-N
MW369.43 g/mol
LogP3.96
Rot. Bonds5

About 4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide

4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide (PubChem CID 71061229) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide
PubChem CID71061229
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccncc3)ccc12)c1ccccc1
InChIInChI=1S/C22H19N5O/c1-14(15-5-3-2-4-6-15)25-20-18-8-7-17(16-9-11-24-12-10-16)13-19(18)26-27-21(20)22(23)28/h2-14H,1H3,(H2,23,28)(H,25,26)/t14-/m1/s1
InChIKeyBRZITVABYYVSBJ-CQSZACIVSA-N
XLogP3.96
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide?
The IUPAC name of 4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide (CID 71061229) is 4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide?
The canonical SMILES for 4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide is C[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccncc3)ccc12)c1ccccc1.
What is the InChIKey of 4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide?
The InChIKey is BRZITVABYYVSBJ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19N5O/c1-14(15-5-3-2-4-6-15)25-20-18-8-7-17(16-9-11-24-12-10-16)13-19(18)26-27-21(20)22(23)28/h2-14H,1H3,(H2,23,28)(H,25,26)/t14-/m1/s1.
What are the key properties of 4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide?
4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-phenylethyl]amino]-7-pyridin-4-ylcinnoline-3-carboxamide is sourced from PubChem (CID 71061229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).