N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide

C32H34N4O5 — CID 134565801

IUPACN-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide
SMILESCCC(CCN)NC(=O)c1ccc(-c2cc3nccc(-c4ccc(OC5CCOCC5)c(C#N)c4)c3o2)c(OC)c1
InChIInChI=1S/C32H34N4O5/c1-3-23(8-12-33)36-32(37)21-4-6-26(29(17-21)38-2)30-18-27-31(41-30)25(9-13-35-27)20-5-7-28(22(16-20)19-34)40-24-10-14-39-15-11-24/h4-7,9,13,16-18,23-24H,3,8,10-12,14-15,33H2,1-2H3,(H,36,37)
InChIKeyDZDPNOXGAMGDDV-UHFFFAOYSA-N
MW554.65 g/mol
LogP5.46
Rot. Bonds10

About N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide

N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide (PubChem CID 134565801) has the molecular formula C32H34N4O5 and a molecular weight of 554.65 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide
PubChem CID134565801
Molecular FormulaC32H34N4O5
Molecular Weight554.65 g/mol
Exact Mass554.25
IUPAC NameN-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide
SMILESCCC(CCN)NC(=O)c1ccc(-c2cc3nccc(-c4ccc(OC5CCOCC5)c(C#N)c4)c3o2)c(OC)c1
InChIInChI=1S/C32H34N4O5/c1-3-23(8-12-33)36-32(37)21-4-6-26(29(17-21)38-2)30-18-27-31(41-30)25(9-13-35-27)20-5-7-28(22(16-20)19-34)40-24-10-14-39-15-11-24/h4-7,9,13,16-18,23-24H,3,8,10-12,14-15,33H2,1-2H3,(H,36,37)
InChIKeyDZDPNOXGAMGDDV-UHFFFAOYSA-N
XLogP5.46
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide?
The IUPAC name of N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide (CID 134565801) is N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide is CCC(CCN)NC(=O)c1ccc(-c2cc3nccc(-c4ccc(OC5CCOCC5)c(C#N)c4)c3o2)c(OC)c1.
What is the InChIKey of N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide?
The InChIKey is DZDPNOXGAMGDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O5/c1-3-23(8-12-33)36-32(37)21-4-6-26(29(17-21)38-2)30-18-27-31(41-30)25(9-13-35-27)20-5-7-28(22(16-20)19-34)40-24-10-14-39-15-11-24/h4-7,9,13,16-18,23-24H,3,8,10-12,14-15,33H2,1-2H3,(H,36,37).
What are the key properties of N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide?
N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide has a molecular weight of 554.65 g/mol, XLogP of 5.46, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 134565801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).