1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile

C20H20N6 — CID 170371839

IUPAC1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile
SMILESCCc1ccccc1CNc1nc(N2CC(C#N)C2)nc2ncccc12
InChIInChI=1S/C20H20N6/c1-2-15-6-3-4-7-16(15)11-23-19-17-8-5-9-22-18(17)24-20(25-19)26-12-14(10-21)13-26/h3-9,14H,2,11-13H2,1H3,(H,22,23,24,25)
InChIKeyXCNWMQOSTQUTMH-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.16
Rot. Bonds5

About 1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile

1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile (PubChem CID 170371839) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile
PubChem CID170371839
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile
SMILESCCc1ccccc1CNc1nc(N2CC(C#N)C2)nc2ncccc12
InChIInChI=1S/C20H20N6/c1-2-15-6-3-4-7-16(15)11-23-19-17-8-5-9-22-18(17)24-20(25-19)26-12-14(10-21)13-26/h3-9,14H,2,11-13H2,1H3,(H,22,23,24,25)
InChIKeyXCNWMQOSTQUTMH-UHFFFAOYSA-N
XLogP3.16
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile?
The IUPAC name of 1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile (CID 170371839) is 1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile.
What is the SMILES notation for 1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile?
The canonical SMILES for 1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile is CCc1ccccc1CNc1nc(N2CC(C#N)C2)nc2ncccc12.
What is the InChIKey of 1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile?
The InChIKey is XCNWMQOSTQUTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-2-15-6-3-4-7-16(15)11-23-19-17-8-5-9-22-18(17)24-20(25-19)26-12-14(10-21)13-26/h3-9,14H,2,11-13H2,1H3,(H,22,23,24,25).
What are the key properties of 1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile?
1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile has a molecular weight of 344.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile is sourced from PubChem (CID 170371839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).