N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen

C22H29N3O5 — CID 143860762

IUPACN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen
SMILESNC(=O)C1CC1.O=C(N[C@H]1CO[C@@H]2CCO[C@H]12)c1cccc(Oc2cccnc2)c1.[H][H].[H][H]
InChIInChI=1S/C18H18N2O4.C4H7NO.2H2/c21-18(20-15-11-23-16-6-8-22-17(15)16)12-3-1-4-13(9-12)24-14-5-2-7-19-10-14;5-4(6)3-1-2-3;;/h1-5,7,9-10,15-17H,6,8,11H2,(H,20,21);3H,1-2H2,(H2,5,6);2*1H/t15-,16+,17+;;;/m0.../s1
InChIKeyZBKSGVDAKUFYGU-XEHGWNEPSA-N
MW415.49 g/mol
LogP2.53
Rot. Bonds5

About N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen

N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen (PubChem CID 143860762) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen
PubChem CID143860762
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC NameN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen
SMILESNC(=O)C1CC1.O=C(N[C@H]1CO[C@@H]2CCO[C@H]12)c1cccc(Oc2cccnc2)c1.[H][H].[H][H]
InChIInChI=1S/C18H18N2O4.C4H7NO.2H2/c21-18(20-15-11-23-16-6-8-22-17(15)16)12-3-1-4-13(9-12)24-14-5-2-7-19-10-14;5-4(6)3-1-2-3;;/h1-5,7,9-10,15-17H,6,8,11H2,(H,20,21);3H,1-2H2,(H2,5,6);2*1H/t15-,16+,17+;;;/m0.../s1
InChIKeyZBKSGVDAKUFYGU-XEHGWNEPSA-N
XLogP2.53
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen with MolForge

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Related Compounds

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)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 70968785
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860821
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]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860799
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen?
The IUPAC name of 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) is N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen.
What is the SMILES notation for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen?
The canonical SMILES for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen is NC(=O)C1CC1.O=C(N[C@H]1CO[C@@H]2CCO[C@H]12)c1cccc(Oc2cccnc2)c1.[H][H].[H][H].
What is the InChIKey of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen?
The InChIKey is ZBKSGVDAKUFYGU-XEHGWNEPSA-N. The full InChI is InChI=1S/C18H18N2O4.C4H7NO.2H2/c21-18(20-15-11-23-16-6-8-22-17(15)16)12-3-1-4-13(9-12)24-14-5-2-7-19-10-14;5-4(6)3-1-2-3;;/h1-5,7,9-10,15-17H,6,8,11H2,(H,20,21);3H,1-2H2,(H2,5,6);2*1H/t15-,16+,17+;;;/m0.../s1.
What are the key properties of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen?
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 415.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 143860762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).