3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C20H27N5O2 — CID 42195446

IUPAC3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)=NN1
InChIInChI=1S/C20H27N5O2/c26-19-4-3-18(22-23-19)20(27)25-11-7-17(14-25)16-5-9-24(10-6-16)13-15-2-1-8-21-12-15/h1-2,8,12,16-17H,3-7,9-11,13-14H2,(H,23,26)/t17-/m0/s1
InChIKeyVUUMSIWYFYYMFH-KRWDZBQOSA-N
MW369.47 g/mol
LogP1.41
Rot. Bonds4

About 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 42195446) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID42195446
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)=NN1
InChIInChI=1S/C20H27N5O2/c26-19-4-3-18(22-23-19)20(27)25-11-7-17(14-25)16-5-9-24(10-6-16)13-15-2-1-8-21-12-15/h1-2,8,12,16-17H,3-7,9-11,13-14H2,(H,23,26)/t17-/m0/s1
InChIKeyVUUMSIWYFYYMFH-KRWDZBQOSA-N
XLogP1.41
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-oxidopyridin-1-ium-3-yl)-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methanone
CID 42516663
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110757174
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methanone
CID 45234686
(6S)-4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one
CID 26215280
2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone
CID 45175882
ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate
CID 26394539
3-(4-methyl-1,2,4-triazol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 56891519
[(3aR,7aS)-2-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155824836
3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110740947
[(3aR,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone
CID 97452906
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 42195446) is 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)=NN1.
What is the InChIKey of 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is VUUMSIWYFYYMFH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-19-4-3-18(22-23-19)20(27)25-11-7-17(14-25)16-5-9-24(10-6-16)13-15-2-1-8-21-12-15/h1-2,8,12,16-17H,3-7,9-11,13-14H2,(H,23,26)/t17-/m0/s1.
What are the key properties of 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 369.47 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 42195446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).