4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide

About 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide

4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 146370984) has the molecular formula C22H23FN8O and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name	4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide
PubChem CID	146370984
Molecular Formula	C22H23FN8O
Molecular Weight	434.48 g/mol
Exact Mass	434.20
IUPAC Name	4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide
SMILES	Cc1cnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)nc3C)n2)nc1
InChI	InChI=1S/C22H23FN8O/c1-13-9-26-20(27-10-13)12-28-21(32)18-8-15(11-29-22-24-5-6-25-22)7-17(31-18)16-3-4-19(23)30-14(16)2/h3-4,7-10H,5-6,11-12H2,1-2H3,(H,28,32)(H2,24,25,29)
InChIKey	WSCJNBGFUMPWRO-UHFFFAOYSA-N
XLogP	1.67
TPSA	117.08 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.48
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide?

The IUPAC name of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide (CID 146370984) is 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide?

The canonical SMILES for 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide is Cc1cnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)nc3C)n2)nc1.

What is the InChIKey of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide?

The InChIKey is WSCJNBGFUMPWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN8O/c1-13-9-26-20(27-10-13)12-28-21(32)18-8-15(11-29-22-24-5-6-25-22)7-17(31-18)16-3-4-19(23)30-14(16)2/h3-4,7-10H,5-6,11-12H2,1-2H3,(H,28,32)(H2,24,25,29).

What are the key properties of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide?

4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 146370984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).