N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide

C19H32N6O — CID 92625273

IUPACN,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCc2nc(C3CCNCC3)nc(NC)c2C1
InChIInChI=1S/C19H32N6O/c1-4-25(5-2)17(26)13-24-11-8-16-15(12-24)19(20-3)23-18(22-16)14-6-9-21-10-7-14/h14,21H,4-13H2,1-3H3,(H,20,22,23)
InChIKeyMWVFGZOPJXGFCB-UHFFFAOYSA-N
MW360.51 g/mol
LogP1.21
Rot. Bonds6

About N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide

N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide (PubChem CID 92625273) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide
PubChem CID92625273
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC NameN,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCc2nc(C3CCNCC3)nc(NC)c2C1
InChIInChI=1S/C19H32N6O/c1-4-25(5-2)17(26)13-24-11-8-16-15(12-24)19(20-3)23-18(22-16)14-6-9-21-10-7-14/h14,21H,4-13H2,1-3H3,(H,20,22,23)
InChIKeyMWVFGZOPJXGFCB-UHFFFAOYSA-N
XLogP1.21
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide (CID 92625273) is N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide is CCN(CC)C(=O)CN1CCc2nc(C3CCNCC3)nc(NC)c2C1.
What is the InChIKey of N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide?
The InChIKey is MWVFGZOPJXGFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-4-25(5-2)17(26)13-24-11-8-16-15(12-24)19(20-3)23-18(22-16)14-6-9-21-10-7-14/h14,21H,4-13H2,1-3H3,(H,20,22,23).
What are the key properties of N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide?
N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide has a molecular weight of 360.51 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 92625273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).