N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide

C21H31N5O2 — CID 99816435

IUPACN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1c(C)cnc(CN2CCC(N(C)C(=O)Cc3cnn(C)c3)CC2)c1C
InChIInChI=1S/C21H31N5O2/c1-15-11-22-19(16(2)21(15)28-5)14-26-8-6-18(7-9-26)25(4)20(27)10-17-12-23-24(3)13-17/h11-13,18H,6-10,14H2,1-5H3
InChIKeyISZYEAXBUPSBLF-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.11
Rot. Bonds6

About N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide

N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 99816435) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID99816435
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1c(C)cnc(CN2CCC(N(C)C(=O)Cc3cnn(C)c3)CC2)c1C
InChIInChI=1S/C21H31N5O2/c1-15-11-22-19(16(2)21(15)28-5)14-26-8-6-18(7-9-26)25(4)20(27)10-17-12-23-24(3)13-17/h11-13,18H,6-10,14H2,1-5H3
InChIKeyISZYEAXBUPSBLF-UHFFFAOYSA-N
XLogP2.11
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide (CID 99816435) is N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide is COc1c(C)cnc(CN2CCC(N(C)C(=O)Cc3cnn(C)c3)CC2)c1C.
What is the InChIKey of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is ISZYEAXBUPSBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-15-11-22-19(16(2)21(15)28-5)14-26-8-6-18(7-9-26)25(4)20(27)10-17-12-23-24(3)13-17/h11-13,18H,6-10,14H2,1-5H3.
What are the key properties of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 99816435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).