4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide

C18H23FN6O — CID 146111667

IUPAC4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(N2CC[C@@H](NC(C)c3cncc(F)c3)C2)c1C
InChIInChI=1S/C18H23FN6O/c1-10-11(2)23-17(16(20)26)24-18(10)25-5-4-15(9-25)22-12(3)13-6-14(19)8-21-7-13/h6-8,12,15,22H,4-5,9H2,1-3H3,(H2,20,26)/t12?,15-/m1/s1
InChIKeyKSBGFWPOHLLVAX-WPZCJLIBSA-N
MW358.42 g/mol
LogP1.66
Rot. Bonds5

About 4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide

4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide (PubChem CID 146111667) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
PubChem CID146111667
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc(N2CC[C@@H](NC(C)c3cncc(F)c3)C2)c1C
InChIInChI=1S/C18H23FN6O/c1-10-11(2)23-17(16(20)26)24-18(10)25-5-4-15(9-25)22-12(3)13-6-14(19)8-21-7-13/h6-8,12,15,22H,4-5,9H2,1-3H3,(H2,20,26)/t12?,15-/m1/s1
InChIKeyKSBGFWPOHLLVAX-WPZCJLIBSA-N
XLogP1.66
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide with MolForge

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Related Compounds

4-[(3R)-3-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146112247
4-[(3R)-3-[(3,5-difluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146112391
4-[(3R)-3-[1-(3-ethyl-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146153772
2-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]piperidin-1-yl]acetamide
CID 103776848
4-[(3R)-3-[(4-fluoro-2-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146153731
4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 154799523
N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167882192
4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112295
N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167840248
4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146112059
4-[(3R)-3-[(2-fluoro-3-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154794650
4-[(3R)-3-(isoquinolin-6-ylmethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 167790200

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide (CID 146111667) is 4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide is Cc1nc(C(N)=O)nc(N2CC[C@@H](NC(C)c3cncc(F)c3)C2)c1C.
What is the InChIKey of 4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
The InChIKey is KSBGFWPOHLLVAX-WPZCJLIBSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-10-11(2)23-17(16(20)26)24-18(10)25-5-4-15(9-25)22-12(3)13-6-14(19)8-21-7-13/h6-8,12,15,22H,4-5,9H2,1-3H3,(H2,20,26)/t12?,15-/m1/s1.
What are the key properties of 4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide?
4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146111667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).