N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide

C17H20N6O2 — CID 167831589

IUPACN-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide
SMILESNc1ccc(C(=O)N2CCC(CCNC(=O)c3cncnc3)C2)nc1
InChIInChI=1S/C17H20N6O2/c18-14-1-2-15(22-9-14)17(25)23-6-4-12(10-23)3-5-21-16(24)13-7-19-11-20-8-13/h1-2,7-9,11-12H,3-6,10,18H2,(H,21,24)
InChIKeyQWBVJJZRUZELSJ-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.74
Rot. Bonds5

About N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide

N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide (PubChem CID 167831589) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide
PubChem CID167831589
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide
SMILESNc1ccc(C(=O)N2CCC(CCNC(=O)c3cncnc3)C2)nc1
InChIInChI=1S/C17H20N6O2/c18-14-1-2-15(22-9-14)17(25)23-6-4-12(10-23)3-5-21-16(24)13-7-19-11-20-8-13/h1-2,7-9,11-12H,3-6,10,18H2,(H,21,24)
InChIKeyQWBVJJZRUZELSJ-UHFFFAOYSA-N
XLogP0.74
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323
(5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone
CID 149181615
[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922928
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211702
(5-amino-2-pyridinyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 81310117
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
5-amino-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106006309
N-[1-(5-aminopyridine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 81310797
5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 81316570
6-[3-(2-aminoethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166322986
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide (CID 167831589) is N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide is Nc1ccc(C(=O)N2CCC(CCNC(=O)c3cncnc3)C2)nc1.
What is the InChIKey of N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide?
The InChIKey is QWBVJJZRUZELSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c18-14-1-2-15(22-9-14)17(25)23-6-4-12(10-23)3-5-21-16(24)13-7-19-11-20-8-13/h1-2,7-9,11-12H,3-6,10,18H2,(H,21,24).
What are the key properties of N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide?
N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 167831589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).