N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide

C14H15N5O — CID 102821357

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide
SMILESNCC#Cc1ccnc(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C14H15N5O/c15-6-1-3-12-4-8-16-13(11-12)18-14(20)5-10-19-9-2-7-17-19/h2,4,7-9,11H,5-6,10,15H2,(H,16,18,20)
InChIKeyJTCHUMGKWUKRSW-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.62
Rot. Bonds4

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide (PubChem CID 102821357) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide
PubChem CID102821357
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide
SMILESNCC#Cc1ccnc(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C14H15N5O/c15-6-1-3-12-4-8-16-13(11-12)18-14(20)5-10-19-9-2-7-17-19/h2,4,7-9,11H,5-6,10,15H2,(H,16,18,20)
InChIKeyJTCHUMGKWUKRSW-UHFFFAOYSA-N
XLogP0.62
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
CID 102821254
N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-pyrazol-1-ylpropanamide
CID 60804474
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
CID 102821435
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 102820796
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide
CID 102821250
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
CID 107690785
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60803072
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209995
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide
CID 102821519
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 102821444
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60803947
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
CID 102821471

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide (CID 102821357) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide is NCC#Cc1ccnc(NC(=O)CCn2cccn2)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is JTCHUMGKWUKRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-6-1-3-12-4-8-16-13(11-12)18-14(20)5-10-19-9-2-7-17-19/h2,4,7-9,11H,5-6,10,15H2,(H,16,18,20).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 269.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 102821357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).