N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide

C22H22N4O — CID 168957928

IUPACN-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide
SMILESNc1cncc(NC(=O)CNC2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C22H22N4O/c23-17-11-18(13-24-12-17)26-21(27)14-25-22-19-7-3-1-5-15(19)9-10-16-6-2-4-8-20(16)22/h1-8,11-13,22,25H,9-10,14,23H2,(H,26,27)
InChIKeyCLTAFLZLWXHFMW-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.08
Rot. Bonds4

About N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide

N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide (PubChem CID 168957928) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide.

Molecular Properties

Compound NameN-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide
PubChem CID168957928
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide
SMILESNc1cncc(NC(=O)CNC2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C22H22N4O/c23-17-11-18(13-24-12-17)26-21(27)14-25-22-19-7-3-1-5-15(19)9-10-16-6-2-4-8-20(16)22/h1-8,11-13,22,25H,9-10,14,23H2,(H,26,27)
InChIKeyCLTAFLZLWXHFMW-UHFFFAOYSA-N
XLogP3.08
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide
CID 168957855
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(3-methylphenyl)acetamide
CID 43411225
N-(5-amino-3-pyridinyl)acetamide
CID 69179532
dimethyl 5-[[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 3882933
5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid
CID 63154190
N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119515915
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)heptanoic acid;hydrochloride
CID 44558536
3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide
CID 154840149
2-(cyclopropylamino)-N-naphthalen-2-ylacetamide
CID 54917835
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide
CID 70274583

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide?
The IUPAC name of N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide (CID 168957928) is N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide.
What is the SMILES notation for N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide?
The canonical SMILES for N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide is Nc1cncc(NC(=O)CNC2c3ccccc3CCc3ccccc32)c1.
What is the InChIKey of N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide?
The InChIKey is CLTAFLZLWXHFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-17-11-18(13-24-12-17)26-21(27)14-25-22-19-7-3-1-5-15(19)9-10-16-6-2-4-8-20(16)22/h1-8,11-13,22,25H,9-10,14,23H2,(H,26,27).
What are the key properties of N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide?
N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide has a molecular weight of 358.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-pyridinyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)acetamide is sourced from PubChem (CID 168957928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).