5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C18H24N6O — CID 97463956

IUPAC5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCc1nccc(NCc2cncc3c2CCN(C(=O)NC(C)C)C3)n1
InChIInChI=1S/C18H24N6O/c1-12(2)22-18(25)24-7-5-16-14(8-19-9-15(16)11-24)10-21-17-4-6-20-13(3)23-17/h4,6,8-9,12H,5,7,10-11H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyACWPAUCYZWAKHS-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.27
Rot. Bonds4

About 5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 97463956) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
PubChem CID97463956
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCc1nccc(NCc2cncc3c2CCN(C(=O)NC(C)C)C3)n1
InChIInChI=1S/C18H24N6O/c1-12(2)22-18(25)24-7-5-16-14(8-19-9-15(16)11-24)10-21-17-4-6-20-13(3)23-17/h4,6,8-9,12H,5,7,10-11H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyACWPAUCYZWAKHS-UHFFFAOYSA-N
XLogP2.27
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The IUPAC name of 5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 97463956) is 5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The canonical SMILES for 5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is Cc1nccc(NCc2cncc3c2CCN(C(=O)NC(C)C)C3)n1.
What is the InChIKey of 5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The InChIKey is ACWPAUCYZWAKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12(2)22-18(25)24-7-5-16-14(8-19-9-15(16)11-24)10-21-17-4-6-20-13(3)23-17/h4,6,8-9,12H,5,7,10-11H2,1-3H3,(H,22,25)(H,20,21,23).
What are the key properties of 5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylpyrimidin-4-yl)amino]methyl]-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 97463956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).