1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide

C19H19FN6O — CID 148519207

IUPAC1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cnc(NCC3(c4ncccc4F)CCC3)nc2)c1
InChIInChI=1S/C19H19FN6O/c20-15-3-1-7-22-16(15)19(5-2-6-19)12-25-18-23-9-14(10-24-18)26-8-4-13(11-26)17(21)27/h1,3-4,7-11H,2,5-6,12H2,(H2,21,27)(H,23,24,25)
InChIKeyMOBHZYHFCSDQQK-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.43
Rot. Bonds6

About 1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide

1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide (PubChem CID 148519207) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide
PubChem CID148519207
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cnc(NCC3(c4ncccc4F)CCC3)nc2)c1
InChIInChI=1S/C19H19FN6O/c20-15-3-1-7-22-16(15)19(5-2-6-19)12-25-18-23-9-14(10-24-18)26-8-4-13(11-26)17(21)27/h1,3-4,7-11H,2,5-6,12H2,(H2,21,27)(H,23,24,25)
InChIKeyMOBHZYHFCSDQQK-UHFFFAOYSA-N
XLogP2.43
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide (CID 148519207) is 1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide is NC(=O)c1ccn(-c2cnc(NCC3(c4ncccc4F)CCC3)nc2)c1.
What is the InChIKey of 1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide?
The InChIKey is MOBHZYHFCSDQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-15-3-1-7-22-16(15)19(5-2-6-19)12-25-18-23-9-14(10-24-18)26-8-4-13(11-26)17(21)27/h1,3-4,7-11H,2,5-6,12H2,(H2,21,27)(H,23,24,25).
What are the key properties of 1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide?
1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 148519207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).