(6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

C16H19N5O2 — CID 71878647

IUPAC(6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)cn1
InChIInChI=1S/C16H19N5O2/c1-23-15-5-4-12(11-17-15)16(22)21-9-6-13(7-10-21)19-14-3-2-8-18-20-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,20)
InChIKeyBIFNOJPRFAXQEM-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.60
Rot. Bonds4

About (6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

(6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone (PubChem CID 71878647) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
PubChem CID71878647
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)cn1
InChIInChI=1S/C16H19N5O2/c1-23-15-5-4-12(11-17-15)16(22)21-9-6-13(7-10-21)19-14-3-2-8-18-20-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,20)
InChIKeyBIFNOJPRFAXQEM-UHFFFAOYSA-N
XLogP1.60
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]benzonitrile
CID 56778506
(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 167941167
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 38214016
N-cyclopropyl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51329173
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
CID 122053880
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 56778514
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
(2-chloro-4-methylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 136536011

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone (CID 71878647) is (6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The InChIKey is BIFNOJPRFAXQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-23-15-5-4-12(11-17-15)16(22)21-9-6-13(7-10-21)19-14-3-2-8-18-20-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,20).
What are the key properties of (6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
(6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone has a molecular weight of 313.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 71878647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).