N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide

C26H29N3O2 — CID 172666895

IUPACN-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide
SMILESCC(c1ccc(-c2cccc3cc(C(=O)NCCC(N)=O)ccc23)cc1)N1CCCC1
InChIInChI=1S/C26H29N3O2/c1-18(29-15-2-3-16-29)19-7-9-20(10-8-19)23-6-4-5-21-17-22(11-12-24(21)23)26(31)28-14-13-25(27)30/h4-12,17-18H,2-3,13-16H2,1H3,(H2,27,30)(H,28,31)
InChIKeyUUGPYQWERFPAQM-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.27
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide

N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 172666895) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide
PubChem CID172666895
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide
SMILESCC(c1ccc(-c2cccc3cc(C(=O)NCCC(N)=O)ccc23)cc1)N1CCCC1
InChIInChI=1S/C26H29N3O2/c1-18(29-15-2-3-16-29)19-7-9-20(10-8-19)23-6-4-5-21-17-22(11-12-24(21)23)26(31)28-14-13-25(27)30/h4-12,17-18H,2-3,13-16H2,1H3,(H2,27,30)(H,28,31)
InChIKeyUUGPYQWERFPAQM-UHFFFAOYSA-N
XLogP4.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide
CID 72839201
N-(3-amino-3-oxopropyl)-5-[4-[(dimethylamino)methyl]phenyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 176501676
4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide
CID 169271007
3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide
CID 97434887
N-[(E)-4-methylsulfonylbut-3-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 146780230
N-(4-methylsulfonylbut-3-enyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 175159989
2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide
CID 95208495
5-hydroxy-N-propylnaphthalene-2-carboxamide
CID 172677586
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090
2-acetyl-N-(3-amino-3-oxopropyl)-10-(3-methylbutyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 110067494
4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid
CID 43553914
3-[[4-[(1S)-1-[3-(2,3-difluorophenyl)-6-(4-methoxyphenyl)indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 141461824

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide (CID 172666895) is N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide is CC(c1ccc(-c2cccc3cc(C(=O)NCCC(N)=O)ccc23)cc1)N1CCCC1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is UUGPYQWERFPAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-18(29-15-2-3-16-29)19-7-9-20(10-8-19)23-6-4-5-21-17-22(11-12-24(21)23)26(31)28-14-13-25(27)30/h4-12,17-18H,2-3,13-16H2,1H3,(H2,27,30)(H,28,31).
What are the key properties of N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide?
N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 172666895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).