N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide

C22H23N3O5 — CID 70968785

IUPACN-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
SMILESO=C(NC1COC2C1OC[C@@H]2NC(=O)C1CC1)c1cccc(Oc2cccnc2)c1
InChIInChI=1S/C22H23N3O5/c26-21(13-6-7-13)24-17-11-28-20-18(12-29-19(17)20)25-22(27)14-3-1-4-15(9-14)30-16-5-2-8-23-10-16/h1-5,8-10,13,17-20H,6-7,11-12H2,(H,24,26)(H,25,27)/t17-,18?,19?,20?/m0/s1
InChIKeyCKMOHWXELKSFMI-FKUUAESASA-N
MW409.44 g/mol
LogP1.66
Rot. Bonds6

About N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide

N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide (PubChem CID 70968785) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
PubChem CID70968785
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
SMILESO=C(NC1COC2C1OC[C@@H]2NC(=O)C1CC1)c1cccc(Oc2cccnc2)c1
InChIInChI=1S/C22H23N3O5/c26-21(13-6-7-13)24-17-11-28-20-18(12-29-19(17)20)25-22(27)14-3-1-4-15(9-14)30-16-5-2-8-23-10-16/h1-5,8-10,13,17-20H,6-7,11-12H2,(H,24,26)(H,25,27)/t17-,18?,19?,20?/m0/s1
InChIKeyCKMOHWXELKSFMI-FKUUAESASA-N
XLogP1.66
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;N-[3-(1-cyclopropylethenylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 158992215
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860762
N-[(3S,3aR,6S,6aR)-3-[2-[3-(2-methoxyphenoxy)phenyl]-2-oxoethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
CID 159364300
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860750
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(2-aminoethoxy)benzamide;hydrochloride
CID 155972251
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236
3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
CID 123980670
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyrazol-1-ylbenzamide
CID 155912648

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide?
The IUPAC name of N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide (CID 70968785) is N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide is O=C(NC1COC2C1OC[C@@H]2NC(=O)C1CC1)c1cccc(Oc2cccnc2)c1.
What is the InChIKey of N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide?
The InChIKey is CKMOHWXELKSFMI-FKUUAESASA-N. The full InChI is InChI=1S/C22H23N3O5/c26-21(13-6-7-13)24-17-11-28-20-18(12-29-19(17)20)25-22(27)14-3-1-4-15(9-14)30-16-5-2-8-23-10-16/h1-5,8-10,13,17-20H,6-7,11-12H2,(H,24,26)(H,25,27)/t17-,18?,19?,20?/m0/s1.
What are the key properties of N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide?
N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide has a molecular weight of 409.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide is sourced from PubChem (CID 70968785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).