3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide

C21H31FN8O3 — CID 90212024

IUPAC3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide
SMILESNC(N=O)C(C(=O)Nc1cnccc1N1CCC(N2CCCC2=O)CC1)C1NCC(F)CN1
InChIInChI=1S/C21H31FN8O3/c22-13-10-25-20(26-11-13)18(19(23)28-33)21(32)27-15-12-24-6-3-16(15)29-8-4-14(5-9-29)30-7-1-2-17(30)31/h3,6,12-14,18-20,25-26H,1-2,4-5,7-11,23H2,(H,27,32)
InChIKeyCANYNODOCBWEJC-UHFFFAOYSA-N
MW462.53 g/mol
LogP0.14
Rot. Bonds7

About 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide

3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide (PubChem CID 90212024) has the molecular formula C21H31FN8O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide
PubChem CID90212024
Molecular FormulaC21H31FN8O3
Molecular Weight462.53 g/mol
Exact Mass462.25
IUPAC Name3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide
SMILESNC(N=O)C(C(=O)Nc1cnccc1N1CCC(N2CCCC2=O)CC1)C1NCC(F)CN1
InChIInChI=1S/C21H31FN8O3/c22-13-10-25-20(26-11-13)18(19(23)28-33)21(32)27-15-12-24-6-3-16(15)29-8-4-14(5-9-29)30-7-1-2-17(30)31/h3,6,12-14,18-20,25-26H,1-2,4-5,7-11,23H2,(H,27,32)
InChIKeyCANYNODOCBWEJC-UHFFFAOYSA-N
XLogP0.14
TPSA145.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide?
The IUPAC name of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide (CID 90212024) is 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide is NC(N=O)C(C(=O)Nc1cnccc1N1CCC(N2CCCC2=O)CC1)C1NCC(F)CN1.
What is the InChIKey of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide?
The InChIKey is CANYNODOCBWEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN8O3/c22-13-10-25-20(26-11-13)18(19(23)28-33)21(32)27-15-12-24-6-3-16(15)29-8-4-14(5-9-29)30-7-1-2-17(30)31/h3,6,12-14,18-20,25-26H,1-2,4-5,7-11,23H2,(H,27,32).
What are the key properties of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide?
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide has a molecular weight of 462.53 g/mol, XLogP of 0.14, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 90212024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).