N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide

C24H24N6O2 — CID 138587069

IUPACN-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide
SMILESN#CC(c1cncc(-c2ccc3cnc(NC(=O)C4CC4)nc3c2)c1)N1CCC(O)CC1
InChIInChI=1S/C24H24N6O2/c25-11-22(30-7-5-20(31)6-8-30)19-9-18(12-26-13-19)16-3-4-17-14-27-24(28-21(17)10-16)29-23(32)15-1-2-15/h3-4,9-10,12-15,20,22,31H,1-2,5-8H2,(H,27,28,29,32)
InChIKeyVOTLFFNSSXDGQK-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.06
Rot. Bonds5

About N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide

N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide (PubChem CID 138587069) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide
PubChem CID138587069
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide
SMILESN#CC(c1cncc(-c2ccc3cnc(NC(=O)C4CC4)nc3c2)c1)N1CCC(O)CC1
InChIInChI=1S/C24H24N6O2/c25-11-22(30-7-5-20(31)6-8-30)19-9-18(12-26-13-19)16-3-4-17-14-27-24(28-21(17)10-16)29-23(32)15-1-2-15/h3-4,9-10,12-15,20,22,31H,1-2,5-8H2,(H,27,28,29,32)
InChIKeyVOTLFFNSSXDGQK-UHFFFAOYSA-N
XLogP3.06
TPSA115.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide (CID 138587069) is N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide is N#CC(c1cncc(-c2ccc3cnc(NC(=O)C4CC4)nc3c2)c1)N1CCC(O)CC1.
What is the InChIKey of N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide?
The InChIKey is VOTLFFNSSXDGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c25-11-22(30-7-5-20(31)6-8-30)19-9-18(12-26-13-19)16-3-4-17-14-27-24(28-21(17)10-16)29-23(32)15-1-2-15/h3-4,9-10,12-15,20,22,31H,1-2,5-8H2,(H,27,28,29,32).
What are the key properties of N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide?
N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[5-[cyano-(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138587069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).