N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide

C20H23N3O3 — CID 133127519

IUPACN-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)CN3C[C@H]4CC[C@H]3C4)cc2)co1
InChIInChI=1S/C20H23N3O3/c1-13-8-15(12-26-13)20(25)22-17-5-3-16(4-6-17)21-19(24)11-23-10-14-2-7-18(23)9-14/h3-6,8,12,14,18H,2,7,9-11H2,1H3,(H,21,24)(H,22,25)/t14-,18-/m0/s1
InChIKeyDZIDXAIJEWOFTN-KSSFIOAISA-N
MW353.42 g/mol
LogP3.26
Rot. Bonds5

About N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide

N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide (PubChem CID 133127519) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide
PubChem CID133127519
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)CN3C[C@H]4CC[C@H]3C4)cc2)co1
InChIInChI=1S/C20H23N3O3/c1-13-8-15(12-26-13)20(25)22-17-5-3-16(4-6-17)21-19(24)11-23-10-14-2-7-18(23)9-14/h3-6,8,12,14,18H,2,7,9-11H2,1H3,(H,21,24)(H,22,25)/t14-,18-/m0/s1
InChIKeyDZIDXAIJEWOFTN-KSSFIOAISA-N
XLogP3.26
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
CID 170635353
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide
CID 87031351
2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
CID 11166156
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide
CID 91841754
(3E,5Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-chloro-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide
CID 170635382
N-[6-(3-azabicyclo[4.3.1]decan-3-yl)-3-pyridinyl]-2-(2-azabicyclo[2.2.2]octan-2-yl)acetamide
CID 167176056
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide
CID 118773312
(3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide
CID 170635835
N-(4-amino-3-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818719
2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 155402796
N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide
CID 877422
2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide
CID 155402749

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide (CID 133127519) is N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(NC(=O)CN3C[C@H]4CC[C@H]3C4)cc2)co1.
What is the InChIKey of N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide?
The InChIKey is DZIDXAIJEWOFTN-KSSFIOAISA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-8-15(12-26-13)20(25)22-17-5-3-16(4-6-17)21-19(24)11-23-10-14-2-7-18(23)9-14/h3-6,8,12,14,18H,2,7,9-11H2,1H3,(H,21,24)(H,22,25)/t14-,18-/m0/s1.
What are the key properties of N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide?
N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 133127519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).