3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide

C18H30FN7O2 — CID 90212063

IUPAC3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide
SMILESCN1CCC(Oc2ccncc2NC(=O)C(C(N)N)C2NCC(F)CN2)CC1
InChIInChI=1S/C18H30FN7O2/c1-26-6-3-12(4-7-26)28-14-2-5-22-10-13(14)25-18(27)15(16(20)21)17-23-8-11(19)9-24-17/h2,5,10-12,15-17,23-24H,3-4,6-9,20-21H2,1H3,(H,25,27)
InChIKeyUGUAQQIKCCKJMH-UHFFFAOYSA-N
MW395.48 g/mol
LogP-0.79
Rot. Bonds6

About 3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide

3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide (PubChem CID 90212063) has the molecular formula C18H30FN7O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide
PubChem CID90212063
Molecular FormulaC18H30FN7O2
Molecular Weight395.48 g/mol
Exact Mass395.24
IUPAC Name3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide
SMILESCN1CCC(Oc2ccncc2NC(=O)C(C(N)N)C2NCC(F)CN2)CC1
InChIInChI=1S/C18H30FN7O2/c1-26-6-3-12(4-7-26)28-14-2-5-22-10-13(14)25-18(27)15(16(20)21)17-23-8-11(19)9-24-17/h2,5,10-12,15-17,23-24H,3-4,6-9,20-21H2,1H3,(H,25,27)
InChIKeyUGUAQQIKCCKJMH-UHFFFAOYSA-N
XLogP-0.79
TPSA130.56 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 5-0.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide 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

2-methyl-2H,3H,4H-pyrido[4,3-b][1,4]oxazin-3-one
CID 141774201
2-(dimethylamino)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetamide
CID 86805213
1-[4-Methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 119049071
N-[2-(4-isopropylpiperazin-1-yl)ethyl]-4-(pyridin-4-yloxy)piperidine-1-carboxamide
CID 121503325
3-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 90211949
3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(oxetan-3-yloxy)-3-pyridinyl]propanamide
CID 90211982
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide
CID 90212052
2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212064
3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]-3-pyridinyl]propanamide
CID 90212149
2-amino-6-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212164
2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212168
2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212239

Frequently Asked Questions

What is the IUPAC name of 3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide?
The IUPAC name of 3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide (CID 90212063) is 3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide.
What is the SMILES notation for 3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide?
The canonical SMILES for 3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide is CN1CCC(Oc2ccncc2NC(=O)C(C(N)N)C2NCC(F)CN2)CC1.
What is the InChIKey of 3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide?
The InChIKey is UGUAQQIKCCKJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN7O2/c1-26-6-3-12(4-7-26)28-14-2-5-22-10-13(14)25-18(27)15(16(20)21)17-23-8-11(19)9-24-17/h2,5,10-12,15-17,23-24H,3-4,6-9,20-21H2,1H3,(H,25,27).
What are the key properties of 3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide?
3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide has a molecular weight of 395.48 g/mol, XLogP of -0.79, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide is sourced from PubChem (CID 90212063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).