(2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide

C19H31N5O2 — CID 70780050

IUPAC(2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@H]1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C19H31N5O2/c1-14(2)24-8-4-5-17(24)19(26)20-12-15-6-9-23(10-7-15)16-11-18(25)22(3)21-13-16/h11,13-15,17H,4-10,12H2,1-3H3,(H,20,26)/t17-/m0/s1
InChIKeyCKGYKNVCEXSXBN-KRWDZBQOSA-N
MW361.49 g/mol
LogP0.99
Rot. Bonds5

About (2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide

(2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 70780050) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID70780050
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@H]1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C19H31N5O2/c1-14(2)24-8-4-5-17(24)19(26)20-12-15-6-9-23(10-7-15)16-11-18(25)22(3)21-13-16/h11,13-15,17H,4-10,12H2,1-3H3,(H,20,26)/t17-/m0/s1
InChIKeyCKGYKNVCEXSXBN-KRWDZBQOSA-N
XLogP0.99
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide (CID 70780050) is (2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1CCC[C@H]1C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of (2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is CKGYKNVCEXSXBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14(2)24-8-4-5-17(24)19(26)20-12-15-6-9-23(10-7-15)16-11-18(25)22(3)21-13-16/h11,13-15,17H,4-10,12H2,1-3H3,(H,20,26)/t17-/m0/s1.
What are the key properties of (2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70780050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).