N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C17H24N6O — CID 50954880

IUPACN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCNc1ncc(CN(C)C(=O)CCc2n[nH]c3c2CCCC3)cn1
InChIInChI=1S/C17H24N6O/c1-18-17-19-9-12(10-20-17)11-23(2)16(24)8-7-15-13-5-3-4-6-14(13)21-22-15/h9-10H,3-8,11H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyXJPPMKQRLHHGEW-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.71
Rot. Bonds6

About N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 50954880) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID50954880
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCNc1ncc(CN(C)C(=O)CCc2n[nH]c3c2CCCC3)cn1
InChIInChI=1S/C17H24N6O/c1-18-17-19-9-12(10-20-17)11-23(2)16(24)8-7-15-13-5-3-4-6-14(13)21-22-15/h9-10H,3-8,11H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyXJPPMKQRLHHGEW-UHFFFAOYSA-N
XLogP1.71
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 50954880) is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is CNc1ncc(CN(C)C(=O)CCc2n[nH]c3c2CCCC3)cn1.
What is the InChIKey of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is XJPPMKQRLHHGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-18-17-19-9-12(10-20-17)11-23(2)16(24)8-7-15-13-5-3-4-6-14(13)21-22-15/h9-10H,3-8,11H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 50954880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).