4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide

C16H25N3O — CID 81244963

IUPAC4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C16H25N3O/c1-6-8-18-12-7-9-17-10-11(12)13(20)19-14-15(2,3)16(14,4)5/h7,9-10,14H,6,8H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyNXVVTPCOIMHSHH-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.07
Rot. Bonds5

About 4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide

4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide (PubChem CID 81244963) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
PubChem CID81244963
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C16H25N3O/c1-6-8-18-12-7-9-17-10-11(12)13(20)19-14-15(2,3)16(14,4)5/h7,9-10,14H,6,8H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyNXVVTPCOIMHSHH-UHFFFAOYSA-N
XLogP3.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235124
N-(1-methylcyclopentyl)-4-(propylamino)pyridine-3-carboxamide
CID 81245301
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
3-hydroxy-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
CID 81443107
N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 114701819
N-[2-[ethyl(methyl)amino]ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240941
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
CID 106280042
N-(4,6-dimethylpyrimidin-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81239346
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 106098462
N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 107606051

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide?
The IUPAC name of 4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide (CID 81244963) is 4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NC1C(C)(C)C1(C)C.
What is the InChIKey of 4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide?
The InChIKey is NXVVTPCOIMHSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-6-8-18-12-7-9-17-10-11(12)13(20)19-14-15(2,3)16(14,4)5/h7,9-10,14H,6,8H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide?
4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide is sourced from PubChem (CID 81244963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).