N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide

C15H17N5O — CID 174240244

IUPACN-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCCN(c2nccc3[nH]cnc23)C1
InChIInChI=1S/C15H17N5O/c1-2-4-13(21)19-11-5-3-8-20(9-11)15-14-12(6-7-16-15)17-10-18-14/h6-7,10-11H,3,5,8-9H2,1H3,(H,17,18)(H,19,21)
InChIKeyNJYBCRCKHFVTPN-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.07
Rot. Bonds2

About N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide

N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide (PubChem CID 174240244) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide.

Molecular Properties

Compound NameN-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide
PubChem CID174240244
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCCN(c2nccc3[nH]cnc23)C1
InChIInChI=1S/C15H17N5O/c1-2-4-13(21)19-11-5-3-8-20(9-11)15-14-12(6-7-16-15)17-10-18-14/h6-7,10-11H,3,5,8-9H2,1H3,(H,17,18)(H,19,21)
InChIKeyNJYBCRCKHFVTPN-UHFFFAOYSA-N
XLogP1.07
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-4-yl]acetamide
CID 146106896
2-cyclopropyl-N-[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]propanamide
CID 137121924
4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-6-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide
CID 171718787
N-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]but-2-ynamide
CID 124733283
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)acetamide
CID 171328135
2-(dimethylamino)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 129477071
7-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-1,2-dimethyl-3H-indene-4-carboxamide
CID 147779324
2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide
CID 123774934
4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine
CID 167827669
1-(1H-imidazo[4,5-c]pyridin-4-yl)-1,3-diazetidin-2-one
CID 177218146
[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl] N-cyclopropylcarbamate
CID 137211005
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide?
The IUPAC name of N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide (CID 174240244) is N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide.
What is the SMILES notation for N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide?
The canonical SMILES for N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide is CC#CC(=O)NC1CCCN(c2nccc3[nH]cnc23)C1.
What is the InChIKey of N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide?
The InChIKey is NJYBCRCKHFVTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-4-13(21)19-11-5-3-8-20(9-11)15-14-12(6-7-16-15)17-10-18-14/h6-7,10-11H,3,5,8-9H2,1H3,(H,17,18)(H,19,21).
What are the key properties of N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide?
N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide has a molecular weight of 283.34 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide is sourced from PubChem (CID 174240244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).